BV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C73 | sing | 1.42Å | 1.44Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| C73 | C72 | sing | 1.53Å | 1.54Å | |
| C73 | C74 | sing | 1.53Å | 1.53Å | |
| C73 | H73 | sing | 1.10Å | 1.10Å | |
| C72 | O30 | sing | 1.42Å | 1.42Å | |
| C72 | C71 | sing | 1.53Å | 1.53Å | |
| C72 | H72 | sing | 1.10Å | 1.10Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| C71 | O29 | sing | 1.43Å | 1.44Å | |
| C71 | C70 | sing | 1.53Å | 1.52Å | |
| C71 | H71 | sing | 1.10Å | 1.10Å | |
| O29 | H29 | sing | 0.97Å | 0.95Å | |
| C70 | C75 | sing | 1.53Å | 1.55Å | |
| C70 | O28 | sing | 1.44Å | 1.47Å | |
| C70 | H70 | sing | 1.10Å | 1.10Å | |
| C75 | O32 | sing | 1.42Å | 1.45Å | |
| C75 | H751 | sing | 1.09Å | 1.10Å | |
| C75 | H752 | sing | 1.09Å | 1.10Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| O28 | C74 | sing | 1.43Å | 1.43Å | |
| C74 | O25 | sing | 1.43Å | 1.43Å | |
| C74 | H74 | sing | 1.09Å | 1.10Å | |
| O25 | C66 | sing | 1.37Å | 1.36Å | |
| C66 | C65 | sing | 1.39Å | 1.38Å | Aromatic |
| C66 | C67 | doub | 1.39Å | 1.39Å | Aromatic |
| C65 | C64 | doub | 1.40Å | 1.39Å | Aromatic |
| C65 | H65 | sing | 1.09Å | 1.08Å | |
| C67 | C68 | sing | 1.39Å | 1.40Å | Aromatic |
| C67 | H67 | sing | 1.09Å | 1.08Å | |
| C68 | N14 | sing | 1.42Å | 1.34Å | |
| C68 | C69 | doub | 1.40Å | 1.39Å | Aromatic |
| N14 | O27 | sing | 1.26Å | 1.40Å | |
| N14 | O26 | doub | 1.25Å | 1.42Å | |
| C69 | C64 | sing | 1.39Å | 1.38Å | Aromatic |
| C69 | H69 | sing | 1.09Å | 1.08Å | |
| C64 | C13 | sing | 1.45Å | 1.52Å | |
| C13 | O24 | doub | 1.24Å | 1.23Å | |
| C13 | N13 | sing | 1.40Å | 1.32Å | |
| N13 | C60 | sing | 1.45Å | 22.80Å | |
| N13 | H13 | sing | 1.01Å | 1.00Å | |
| O1 | C1 | sing | 1.42Å | 0.00Å | |
| O1 | HO1 | sing | 0.97Å | 0.00Å | |
| C1 | C2 | sing | 1.52Å | 0.00Å | |
| C1 | H11A | sing | 1.09Å | 0.00Å | |
| C1 | H12 | sing | 1.09Å | 0.00Å | |
| C2 | O2 | sing | 1.43Å | 0.00Å | |
| C2 | C79 | sing | 1.54Å | 0.00Å | |
| C2 | H2 | sing | 1.10Å | 0.00Å | |
| O2 | C3 | sing | 1.43Å | 0.00Å | |
| C3 | O3 | sing | 1.43Å | 0.00Å | |
| C3 | C77 | sing | 1.53Å | 0.00Å | |
| C3 | H3 | sing | 1.10Å | 0.00Å | |
| O3 | C4 | sing | 1.36Å | 0.00Å | |
| C4 | C5 | doub | 1.39Å | 0.00Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 0.00Å | |
| C6 | C7 | doub | 1.38Å | 0.00Å | Aromatic |
| C6 | C10 | sing | 1.49Å | 0.00Å | |
| C7 | C8 | sing | 1.40Å | 0.00Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 0.00Å | |
| C8 | C9 | doub | 1.39Å | 0.00Å | Aromatic |
| C8 | N1 | sing | 1.42Å | 0.00Å | |
| C9 | H9 | sing | 1.09Å | 0.00Å | |
| N1 | O4 | sing | 1.25Å | 0.00Å | |
| N1 | O5 | doub | 1.25Å | 0.00Å | |
| C10 | O6 | doub | 1.23Å | 0.00Å | |
| C10 | N2 | sing | 1.39Å | 0.00Å | |
| N2 | C11 | sing | 1.44Å | 0.00Å | |
| N2 | HN2 | sing | 1.02Å | 0.00Å | |
| C11 | C12 | sing | 1.53Å | 0.00Å | |
| C11 | H111 | sing | 1.09Å | 0.00Å | |
| C11 | H112 | sing | 1.09Å | 0.00Å | |
| C12 | C14 | sing | 1.53Å | 0.00Å | |
| C12 | H121 | sing | 1.10Å | 0.00Å | |
| C12 | H122 | sing | 1.10Å | 0.00Å | |
| C14 | N3 | sing | 1.46Å | 0.00Å | |
| C14 | H141 | sing | 1.09Å | 0.00Å | |
| C14 | H142 | sing | 1.10Å | 0.00Å | |
| N3 | C15 | sing | 1.47Å | 0.00Å | |
| N3 | C18 | sing | 1.47Å | 0.00Å | |
| C15 | C16 | sing | 1.53Å | 0.00Å | |
| C15 | H151 | sing | 1.10Å | 0.00Å | |
| C15 | H152 | sing | 1.10Å | 0.00Å | |
| C16 | N4 | sing | 1.47Å | 0.00Å | |
| C16 | H161 | sing | 1.10Å | 0.00Å | |
| C16 | H162 | sing | 1.10Å | 0.00Å | |
| N4 | C17 | sing | 1.47Å | 0.00Å | |
| N4 | C19 | sing | 1.46Å | 0.00Å | |
| C17 | C18 | sing | 1.53Å | 0.00Å | |
| C17 | H171 | sing | 1.10Å | 0.00Å | |
| C17 | H172 | sing | 1.10Å | 0.00Å | |
| C18 | H181 | sing | 1.10Å | 0.00Å | |
| C18 | H182 | sing | 1.10Å | 0.00Å | |
| C19 | C20 | sing | 1.53Å | 0.00Å | |
| C19 | H191 | sing | 1.09Å | 0.00Å | |
| C19 | H192 | sing | 1.09Å | 0.00Å | |
| C20 | C21 | sing | 1.53Å | 0.00Å | |
| C20 | H201 | sing | 1.10Å | 0.00Å | |
| C20 | H202 | sing | 1.10Å | 0.00Å | |
| C21 | N5 | sing | 1.47Å | 0.00Å | |
| C21 | H211 | sing | 1.09Å | 0.00Å | |
| C21 | H212 | sing | 1.09Å | 0.00Å | |
| N5 | C22 | sing | 1.31Å | 0.00Å | |
| N5 | HN5 | sing | 1.02Å | 0.00Å | |
| C22 | C23 | doub | 1.34Å | 0.00Å | Aromatic |
| C22 | C76 | sing | 1.46Å | 0.00Å | Aromatic |
| C23 | N6 | sing | 1.33Å | 0.00Å | |
| C23 | C63 | sing | 1.45Å | 0.00Å | Aromatic |
| N6 | C24 | sing | 1.44Å | 0.00Å | |
| N6 | HN6 | sing | 1.02Å | 0.00Å | |
| C24 | C25 | sing | 1.52Å | 0.00Å | |
| C24 | H241 | sing | 1.09Å | 0.00Å | |
| C24 | H242 | sing | 1.09Å | 0.00Å | |
| C25 | C26 | sing | 1.52Å | 0.00Å | |
| C25 | H251 | sing | 1.10Å | 0.00Å | |
| C25 | H252 | sing | 1.10Å | 0.00Å | |
| C26 | O7 | sing | 1.42Å | 0.00Å | |
| C26 | H261 | sing | 1.09Å | 0.00Å | |
| C26 | H262 | sing | 1.09Å | 0.00Å | |
| O7 | C27 | sing | 1.42Å | 0.00Å | |
| C27 | C28 | sing | 1.52Å | 0.00Å | |
| C27 | H271 | sing | 1.09Å | 0.00Å | |
| C27 | H272 | sing | 1.09Å | 0.00Å | |
| C28 | O8 | sing | 1.42Å | 0.00Å | |
| C28 | H281 | sing | 1.09Å | 0.00Å | |
| C28 | H282 | sing | 1.09Å | 0.00Å | |
| O8 | C29 | sing | 1.42Å | 0.00Å | |
| C29 | C30 | sing | 1.52Å | 0.00Å | |
| C29 | H291 | sing | 1.09Å | 0.00Å | |
| C29 | H292 | sing | 1.09Å | 0.00Å | |
| C30 | O9 | sing | 1.42Å | 0.00Å | |
| C30 | H301 | sing | 1.09Å | 0.00Å | |
| C30 | H302 | sing | 1.09Å | 0.00Å | |
| O9 | C31 | sing | 1.42Å | 0.00Å | |
| C31 | C32 | sing | 1.52Å | 0.00Å | |
| C31 | H311 | sing | 1.09Å | 0.00Å | |
| C31 | H312 | sing | 1.09Å | 0.00Å | |
| C32 | C33 | sing | 1.52Å | 0.00Å | |
| C32 | H321 | sing | 1.10Å | 0.00Å | |
| C32 | H322 | sing | 1.10Å | 0.00Å | |
| C33 | N7 | sing | 1.45Å | 0.00Å | |
| C33 | H331 | sing | 1.09Å | 0.00Å | |
| C33 | H332 | sing | 1.09Å | 0.00Å | |
| N7 | C34 | sing | 1.38Å | 0.00Å | |
| N7 | HN7 | sing | 1.02Å | 0.00Å | |
| C34 | O10 | doub | 1.23Å | 0.00Å | |
| C34 | O11 | sing | 1.37Å | 0.00Å | |
| O11 | C35 | sing | 1.42Å | 0.00Å | |
| C35 | C36 | sing | 1.53Å | 0.00Å | |
| C35 | H351 | sing | 1.10Å | 0.00Å | |
| C35 | H352 | sing | 1.10Å | 0.00Å | |
| C36 | N8 | sing | 1.45Å | 0.00Å | |
| C36 | C37 | sing | 1.53Å | 0.00Å | |
| C36 | H36 | sing | 1.10Å | 0.00Å | |
| N8 | HN81 | sing | 1.00Å | 0.00Å | |
| N8 | HN82 | sing | 1.00Å | 0.00Å | |
| C37 | O12 | sing | 1.43Å | 0.00Å | |
| C37 | H371 | sing | 1.10Å | 0.00Å | |
| C37 | H372 | sing | 1.10Å | 0.00Å | |
| O12 | C38 | sing | 1.37Å | 0.00Å | |
| C38 | O13 | doub | 1.23Å | 0.00Å | |
| C38 | N9 | sing | 1.38Å | 0.00Å | |
| N9 | C39 | sing | 1.44Å | 0.00Å | |
| N9 | HN9 | sing | 1.02Å | 0.00Å | |
| C39 | C40 | sing | 1.52Å | 0.00Å | |
| C39 | H391 | sing | 1.09Å | 0.00Å | |
| C39 | H392 | sing | 1.10Å | 0.00Å | |
| C40 | C41 | sing | 1.52Å | 0.00Å | |
| C40 | H401 | sing | 1.10Å | 0.00Å | |
| C40 | H402 | sing | 1.10Å | 0.00Å | |
| C41 | O14 | sing | 1.42Å | 0.00Å | |
| C41 | H411 | sing | 1.09Å | 0.00Å | |
| C41 | H412 | sing | 1.09Å | 0.00Å | |
| O14 | C42 | sing | 1.42Å | 0.00Å | |
| C42 | C43 | sing | 1.52Å | 0.00Å | |
| C42 | H421 | sing | 1.09Å | 0.00Å | |
| C42 | H422 | sing | 1.09Å | 0.00Å | |
| C43 | O15 | sing | 1.42Å | 0.00Å | |
| C43 | H431 | sing | 1.09Å | 0.00Å | |
| C43 | H432 | sing | 1.09Å | 0.00Å | |
| O15 | C44 | sing | 1.42Å | 0.00Å | |
| C44 | C45 | sing | 1.52Å | 0.00Å | |
| C44 | H441 | sing | 1.09Å | 0.00Å | |
| C44 | H442 | sing | 1.09Å | 0.00Å | |
| C45 | O16 | sing | 1.42Å | 0.00Å | |
| C45 | H451 | sing | 1.09Å | 0.00Å | |
| C45 | H452 | sing | 1.09Å | 0.00Å | |
| O16 | C46 | sing | 1.42Å | 0.00Å | |
| C46 | C47 | sing | 1.52Å | 0.00Å | |
| C46 | H461 | sing | 1.09Å | 0.00Å | |
| C46 | H462 | sing | 1.09Å | 0.00Å | |
| C47 | C48 | sing | 1.52Å | 0.00Å | |
| C47 | H471 | sing | 1.10Å | 0.00Å | |
| C47 | H472 | sing | 1.10Å | 0.00Å | |
| C48 | N10 | sing | 1.47Å | 0.00Å | |
| C48 | H481 | sing | 1.09Å | 0.00Å | |
| C48 | H482 | sing | 1.09Å | 0.00Å | |
| N10 | C49 | sing | 1.31Å | 0.00Å | |
| N10 | H10 | sing | 1.02Å | 0.00Å | |
| C49 | C50 | doub | 1.34Å | 0.00Å | Aromatic |
| C49 | C62 | sing | 1.46Å | 0.00Å | Aromatic |
| C50 | N11 | sing | 1.33Å | 0.00Å | |
| C50 | C61 | sing | 1.44Å | 0.00Å | Aromatic |
| N11 | C51 | sing | 1.44Å | 0.00Å | |
| N11 | H11 | sing | 1.02Å | 0.00Å | |
| C51 | C52 | sing | 1.53Å | 0.00Å | |
| C51 | H511 | sing | 1.10Å | 0.00Å | |
| C51 | H512 | sing | 1.09Å | 0.00Å | |
| C52 | C53 | sing | 1.53Å | 0.00Å | |
| C52 | H521 | sing | 1.10Å | 0.00Å | |
| C52 | H522 | sing | 1.10Å | 0.00Å | |
| C53 | N12 | sing | 1.46Å | 0.00Å | |
| C53 | H531 | sing | 1.09Å | 0.00Å | |
| C53 | H532 | sing | 1.10Å | 0.00Å | |
| N12 | C54 | sing | 1.47Å | 0.00Å | |
| N12 | C57 | sing | 1.47Å | 0.00Å | |
| C54 | C55 | sing | 1.53Å | 0.00Å | |
| C54 | H541 | sing | 1.10Å | 0.00Å | |
| C54 | H542 | sing | 1.10Å | 0.00Å | |
| C55 | N15 | sing | 1.47Å | 0.00Å | |
| C55 | H551 | sing | 1.10Å | 0.00Å | |
| C55 | H552 | sing | 1.10Å | 0.00Å | |
| N15 | C56 | sing | 1.47Å | 0.00Å | |
| N15 | C58 | sing | 1.46Å | 0.00Å | |
| C56 | C57 | sing | 1.53Å | 0.00Å | |
| C56 | H561 | sing | 1.10Å | 0.00Å | |
| C56 | H562 | sing | 1.10Å | 0.00Å | |
| C57 | H571 | sing | 1.10Å | 0.00Å | |
| C57 | H572 | sing | 1.10Å | 0.00Å | |
| C58 | C59 | sing | 1.53Å | 0.00Å | |
| C58 | H581 | sing | 1.09Å | 0.00Å | |
| C58 | H582 | sing | 1.09Å | 0.00Å | |
| C59 | C60 | sing | 1.53Å | 0.00Å | |
| C59 | H591 | sing | 1.10Å | 0.00Å | |
| C59 | H592 | sing | 1.10Å | 0.00Å | |
| C60 | H601 | sing | 1.09Å | 0.00Å | |
| C60 | H602 | sing | 1.09Å | 0.00Å | |
| C61 | O17 | doub | 1.20Å | 0.00Å | |
| C61 | C62 | sing | 1.48Å | 0.00Å | Aromatic |
| C62 | O18 | doub | 1.20Å | 0.00Å | |
| C63 | O19 | doub | 1.20Å | 0.00Å | |
| C63 | C76 | sing | 1.48Å | 0.00Å | Aromatic |
| C76 | O20 | doub | 1.20Å | 0.00Å | |
| C77 | O21 | sing | 1.43Å | 0.00Å | |
| C77 | C78 | sing | 1.53Å | 0.00Å | |
| C77 | H77 | sing | 1.10Å | 0.00Å | |
| O21 | H21 | sing | 0.97Å | 0.00Å | |
| C78 | O22 | sing | 1.42Å | 0.00Å | |
| C78 | C79 | sing | 1.53Å | 0.00Å | |
| C78 | H78 | sing | 1.10Å | 0.00Å | |
| O22 | H22 | sing | 0.97Å | 0.00Å | |
| C79 | O23 | sing | 1.43Å | 0.00Å | |
| C79 | H79 | sing | 1.10Å | 0.00Å | |
| O23 | H23 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C73 | O31 | H31 | 109.5° | 106.6° |
| O31 | C73 | C72 | 111.8° | 110.3° |
| O31 | C73 | C74 | 110.4° | 109.3° |
| O31 | C73 | H73 | 107.5° | 107.1° |
| C72 | C73 | C74 | 110.3° | 110.7° |
| C72 | C73 | H73 | 107.6° | 109.4° |
| C73 | C72 | O30 | 110.3° | 109.3° |
| C73 | C72 | C71 | 110.8° | 110.2° |
| C73 | C72 | H72 | 107.3° | 110.1° |
| C74 | C73 | H73 | 109.1° | 110.0° |
| C73 | C74 | O28 | 110.7° | 110.4° |
| C73 | C74 | O25 | 105.8° | 110.2° |
| C73 | C74 | H74 | 112.1° | 109.7° |
| O30 | C72 | C71 | 107.1° | 110.0° |
| O30 | C72 | H72 | 110.9° | 106.8° |
| C72 | O30 | H30 | 109.5° | 106.6° |
| C71 | C72 | H72 | 110.5° | 110.3° |
| C72 | C71 | O29 | 109.5° | 109.5° |
| C72 | C71 | C70 | 109.0° | 110.3° |
| C72 | C71 | H71 | 110.0° | 110.4° |
| O29 | C71 | C70 | 110.2° | 108.8° |
| O29 | C71 | H71 | 108.8° | 106.7° |
| C71 | O29 | H29 | 109.5° | 106.3° |
| C70 | C71 | H71 | 109.4° | 111.1° |
| C71 | C70 | C75 | 113.1° | 112.4° |
| C71 | C70 | O28 | 112.0° | 110.7° |
| C71 | C70 | H70 | 104.0° | 109.9° |
| C75 | C70 | O28 | 105.5° | 107.2° |
| C75 | C70 | H70 | 110.7° | 107.7° |
| C70 | C75 | O32 | 110.5° | 108.6° |
| C70 | C75 | H751 | 109.1° | 110.0° |
| C70 | C75 | H752 | 108.9° | 110.0° |
| O28 | C70 | H70 | 111.8° | 108.7° |
| C70 | O28 | C74 | 111.8° | 113.6° |
| O32 | C75 | H751 | 109.1° | 109.2° |
| O32 | C75 | H752 | 108.9° | 109.3° |
| C75 | O32 | H32 | 109.5° | 107.0° |
| H751 | C75 | H752 | 110.3° | 109.7° |
| O28 | C74 | O25 | 112.4° | 111.9° |
| O28 | C74 | H74 | 105.6° | 108.0° |
| O25 | C74 | H74 | 110.4° | 106.5° |
| C74 | O25 | C66 | 112.6° | 116.6° |
| O25 | C66 | C65 | 118.9° | 119.8° |
| O25 | C66 | C67 | 120.7° | 119.7° |
| C65 | C66 | C67 | 120.4° | 120.5° |
| C66 | C65 | C64 | 119.3° | 119.8° |
| C66 | C65 | H65 | 120.3° | 120.0° |
| C66 | C67 | C68 | 120.1° | 119.8° |
| C66 | C67 | H67 | 120.0° | 119.8° |
| C64 | C65 | H65 | 120.4° | 120.2° |
| C65 | C64 | C69 | 121.0° | 120.0° |
| C65 | C64 | C13 | 118.5° | 120.0° |
| C68 | C67 | H67 | 120.0° | 120.4° |
| C67 | C68 | N14 | 118.7° | 120.0° |
| C67 | C68 | C69 | 119.3° | 120.0° |
| N14 | C68 | C69 | 122.0° | 120.0° |
| C68 | N14 | O27 | 120.8° | 119.0° |
| C68 | N14 | O26 | 119.4° | 119.0° |
| C68 | C69 | C64 | 119.9° | 120.0° |
| C68 | C69 | H69 | 120.0° | 120.1° |
| O27 | N14 | O26 | 119.8° | 122.0° |
| C64 | C69 | H69 | 120.0° | 119.9° |
| C69 | C64 | C13 | 120.5° | 120.0° |
| C64 | C13 | O24 | 121.3° | 120.5° |
| C64 | C13 | N13 | 113.9° | 117.0° |
| O24 | C13 | N13 | 124.8° | 122.5° |
| C13 | N13 | C60 | 104.7° | 123.5° |
| C13 | N13 | H13 | 127.7° | 119.3° |
| C60 | N13 | H13 | 127.6° | 117.1° |
| N13 | C60 | C59 | 90.0° | 112.6° |
| N13 | C60 | H601 | 90.0° | 106.8° |
| N13 | C60 | H602 | 90.0° | 107.8° |
| C1 | O1 | HO1 | 90.0° | 107.1° |
| O1 | C1 | C2 | 90.0° | 108.6° |
| O1 | C1 | H11A | 90.0° | 109.2° |
| O1 | C1 | H12 | 90.0° | 109.2° |
| C2 | C1 | H11A | 90.0° | 110.1° |
| C2 | C1 | H12 | 90.0° | 110.1° |
| C1 | C2 | O2 | 90.0° | 107.3° |
| C1 | C2 | C79 | 90.0° | 113.0° |
| C1 | C2 | H2 | 90.0° | 108.1° |
| H11A | C1 | H12 | 90.0° | 109.6° |
| O2 | C2 | C79 | 90.0° | 110.6° |
| O2 | C2 | H2 | 90.0° | 108.2° |
| C2 | O2 | C3 | 90.0° | 113.0° |
| C79 | C2 | H2 | 90.0° | 109.4° |
| C2 | C79 | C78 | 90.0° | 109.8° |
| C2 | C79 | O23 | 90.0° | 110.4° |
| C2 | C79 | H79 | 90.0° | 111.0° |
| O2 | C3 | O3 | 90.0° | 110.7° |
| O2 | C3 | C77 | 90.0° | 111.1° |
| O2 | C3 | H3 | 90.0° | 108.8° |
| O3 | C3 | C77 | 90.0° | 108.7° |
| O3 | C3 | H3 | 90.0° | 107.6° |
| C3 | O3 | C4 | 90.0° | 117.1° |
| C77 | C3 | H3 | 90.0° | 109.9° |
| C3 | C77 | O21 | 90.0° | 109.5° |
| C3 | C77 | C78 | 90.0° | 109.6° |
| C3 | C77 | H77 | 90.0° | 110.8° |
| O3 | C4 | C5 | 90.0° | 120.0° |
| O3 | C4 | C9 | 90.0° | 120.0° |
| C5 | C4 | C9 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 118.9° |
| C4 | C5 | H5 | 90.0° | 119.7° |
| C4 | C9 | C8 | 90.0° | 120.0° |
| C4 | C9 | H9 | 90.0° | 119.6° |
| C6 | C5 | H5 | 90.0° | 121.4° |
| C5 | C6 | C7 | 90.0° | 122.3° |
| C5 | C6 | C10 | 90.0° | 118.8° |
| C7 | C6 | C10 | 90.0° | 118.9° |
| C6 | C7 | C8 | 90.0° | 118.8° |
| C6 | C7 | H7 | 90.0° | 121.0° |
| C6 | C10 | O6 | 90.0° | 119.3° |
| C6 | C10 | N2 | 90.0° | 116.1° |
| C8 | C7 | H7 | 90.0° | 120.2° |
| C7 | C8 | C9 | 90.0° | 120.0° |
| C7 | C8 | N1 | 90.0° | 120.0° |
| C9 | C8 | N1 | 90.0° | 120.0° |
| C8 | C9 | H9 | 90.0° | 120.4° |
| C8 | N1 | O4 | 90.0° | 119.0° |
| C8 | N1 | O5 | 90.0° | 119.0° |
| O4 | N1 | O5 | 90.0° | 122.1° |
| O6 | C10 | N2 | 90.0° | 124.6° |
| C10 | N2 | C11 | 90.0° | 122.7° |
| C10 | N2 | HN2 | 90.0° | 119.8° |
| C11 | N2 | HN2 | 90.0° | 117.5° |
| N2 | C11 | C12 | 90.0° | 112.5° |
| N2 | C11 | H111 | 90.0° | 106.9° |
| N2 | C11 | H112 | 90.0° | 107.8° |
| C12 | C11 | H111 | 90.0° | 109.9° |
| C12 | C11 | H112 | 90.0° | 111.5° |
| C11 | C12 | C14 | 90.0° | 113.8° |
| C11 | C12 | H121 | 90.0° | 109.3° |
| C11 | C12 | H122 | 90.0° | 108.6° |
| H111 | C11 | H112 | 90.0° | 108.0° |
| C14 | C12 | H121 | 90.0° | 108.6° |
| C14 | C12 | H122 | 90.0° | 109.3° |
| C12 | C14 | N3 | 90.0° | 112.6° |
| C12 | C14 | H141 | 90.0° | 111.5° |
| C12 | C14 | H142 | 90.0° | 109.9° |
| H121 | C12 | H122 | 90.0° | 107.1° |
| N3 | C14 | H141 | 90.0° | 107.8° |
| N3 | C14 | H142 | 90.0° | 106.8° |
| C14 | N3 | C15 | 90.0° | 110.8° |
| C14 | N3 | C18 | 90.0° | 110.8° |
| H141 | C14 | H142 | 90.0° | 108.0° |
| C15 | N3 | C18 | 90.0° | 110.4° |
| N3 | C15 | C16 | 90.0° | 110.8° |
| N3 | C15 | H151 | 90.0° | 110.7° |
| N3 | C15 | H152 | 90.0° | 109.5° |
| N3 | C18 | C17 | 90.0° | 110.8° |
| N3 | C18 | H181 | 90.0° | 109.5° |
| N3 | C18 | H182 | 90.0° | 110.7° |
| C16 | C15 | H151 | 90.0° | 109.8° |
| C16 | C15 | H152 | 90.0° | 108.6° |
| C15 | C16 | N4 | 90.0° | 110.9° |
| C15 | C16 | H161 | 90.0° | 109.8° |
| C15 | C16 | H162 | 90.0° | 108.6° |
| H151 | C15 | H152 | 90.0° | 107.3° |
| N4 | C16 | H161 | 90.0° | 110.7° |
| N4 | C16 | H162 | 90.0° | 109.5° |
| C16 | N4 | C17 | 90.0° | 110.4° |
| C16 | N4 | C19 | 90.0° | 110.9° |
| H161 | C16 | H162 | 90.0° | 107.3° |
| C17 | N4 | C19 | 90.0° | 110.8° |
| N4 | C17 | C18 | 90.0° | 110.9° |
| N4 | C17 | H171 | 90.0° | 109.6° |
| N4 | C17 | H172 | 90.0° | 110.7° |
| N4 | C19 | C20 | 90.0° | 112.6° |
| N4 | C19 | H191 | 90.0° | 107.8° |
| N4 | C19 | H192 | 90.0° | 106.9° |
| C18 | C17 | H171 | 90.0° | 108.5° |
| C18 | C17 | H172 | 90.0° | 109.8° |
| C17 | C18 | H181 | 90.0° | 108.5° |
| C17 | C18 | H182 | 90.0° | 109.8° |
| H171 | C17 | H172 | 90.0° | 107.3° |
| H181 | C18 | H182 | 90.0° | 107.4° |
| C20 | C19 | H191 | 90.0° | 111.5° |
| C20 | C19 | H192 | 90.0° | 109.9° |
| C19 | C20 | C21 | 90.0° | 113.8° |
| C19 | C20 | H201 | 90.0° | 108.6° |
| C19 | C20 | H202 | 90.0° | 109.3° |
| H191 | C19 | H192 | 90.0° | 108.0° |
| C21 | C20 | H201 | 90.0° | 109.3° |
| C21 | C20 | H202 | 90.0° | 108.6° |
| C20 | C21 | N5 | 90.0° | 112.6° |
| C20 | C21 | H211 | 90.0° | 109.9° |
| C20 | C21 | H212 | 90.0° | 111.5° |
| H201 | C20 | H202 | 90.0° | 107.1° |
| N5 | C21 | H211 | 90.0° | 106.9° |
| N5 | C21 | H212 | 90.0° | 107.8° |
| C21 | N5 | C22 | 90.0° | 122.6° |
| C21 | N5 | HN5 | 90.0° | 117.6° |
| H211 | C21 | H212 | 90.0° | 108.0° |
| C22 | N5 | HN5 | 90.0° | 119.8° |
| N5 | C22 | C23 | 90.0° | 140.7° |
| N5 | C22 | C76 | 90.0° | 127.6° |
| C23 | C22 | C76 | 90.0° | 91.6° |
| C22 | C23 | N6 | 90.0° | 139.3° |
| C22 | C23 | C63 | 90.0° | 93.9° |
| C22 | C76 | C63 | 90.0° | 87.7° |
| C22 | C76 | O20 | 90.0° | 141.4° |
| N6 | C23 | C63 | 90.0° | 126.7° |
| C23 | N6 | C24 | 90.0° | 122.9° |
| C23 | N6 | HN6 | 90.0° | 117.1° |
| C23 | C63 | O19 | 90.0° | 142.3° |
| C23 | C63 | C76 | 90.0° | 86.8° |
| C24 | N6 | HN6 | 90.0° | 119.9° |
| N6 | C24 | C25 | 90.0° | 112.6° |
| N6 | C24 | H241 | 90.0° | 106.9° |
| N6 | C24 | H242 | 90.0° | 107.8° |
| C25 | C24 | H241 | 90.0° | 110.1° |
| C25 | C24 | H242 | 90.0° | 111.1° |
| C24 | C25 | C26 | 90.0° | 112.8° |
| C24 | C25 | H251 | 90.0° | 109.3° |
| C24 | C25 | H252 | 90.0° | 110.4° |
| H241 | C24 | H242 | 90.0° | 108.2° |
| C26 | C25 | H251 | 90.0° | 108.9° |
| C26 | C25 | H252 | 90.0° | 109.3° |
| C25 | C26 | O7 | 90.0° | 108.7° |
| C25 | C26 | H261 | 90.0° | 111.3° |
| C25 | C26 | H262 | 90.0° | 110.9° |
| H251 | C25 | H252 | 90.0° | 105.9° |
| O7 | C26 | H261 | 90.0° | 108.3° |
| O7 | C26 | H262 | 90.0° | 108.5° |
| C26 | O7 | C27 | 90.0° | 111.5° |
| H261 | C26 | H262 | 90.0° | 109.0° |
| O7 | C27 | C28 | 90.0° | 109.0° |
| O7 | C27 | H271 | 90.0° | 108.2° |
| O7 | C27 | H272 | 90.0° | 108.2° |
| C28 | C27 | H271 | 90.0° | 111.1° |
| C28 | C27 | H272 | 90.0° | 110.5° |
| C27 | C28 | O8 | 90.0° | 109.1° |
| C27 | C28 | H281 | 90.0° | 111.1° |
| C27 | C28 | H282 | 90.0° | 110.5° |
| H271 | C27 | H272 | 90.0° | 109.7° |
| O8 | C28 | H281 | 90.0° | 108.1° |
| O8 | C28 | H282 | 90.0° | 108.3° |
| C28 | O8 | C29 | 90.0° | 111.5° |
| H281 | C28 | H282 | 90.0° | 109.7° |
| O8 | C29 | C30 | 90.0° | 109.1° |
| O8 | C29 | H291 | 90.0° | 108.1° |
| O8 | C29 | H292 | 90.0° | 108.2° |
| C30 | C29 | H291 | 90.0° | 111.2° |
| C30 | C29 | H292 | 90.0° | 110.5° |
| C29 | C30 | O9 | 90.0° | 109.0° |
| C29 | C30 | H301 | 90.0° | 111.1° |
| C29 | C30 | H302 | 90.0° | 110.5° |
| H291 | C29 | H292 | 90.0° | 109.7° |
| O9 | C30 | H301 | 90.0° | 108.1° |
| O9 | C30 | H302 | 90.0° | 108.3° |
| C30 | O9 | C31 | 90.0° | 111.5° |
| H301 | C30 | H302 | 90.0° | 109.7° |
| O9 | C31 | C32 | 90.0° | 108.8° |
| O9 | C31 | H311 | 90.0° | 108.3° |
| O9 | C31 | H312 | 90.0° | 108.5° |
| C32 | C31 | H311 | 90.0° | 111.3° |
| C32 | C31 | H312 | 90.0° | 110.9° |
| C31 | C32 | C33 | 90.0° | 112.8° |
| C31 | C32 | H321 | 90.0° | 108.9° |
| C31 | C32 | H322 | 90.0° | 109.4° |
| H311 | C31 | H312 | 90.0° | 109.0° |
| C33 | C32 | H321 | 90.0° | 109.2° |
| C33 | C32 | H322 | 90.0° | 110.4° |
| C32 | C33 | N7 | 90.0° | 112.5° |
| C32 | C33 | H331 | 90.0° | 110.2° |
| C32 | C33 | H332 | 90.0° | 111.0° |
| H321 | C32 | H322 | 90.0° | 105.8° |
| N7 | C33 | H331 | 90.0° | 107.0° |
| N7 | C33 | H332 | 90.0° | 107.8° |
| C33 | N7 | C34 | 90.0° | 123.7° |
| C33 | N7 | HN7 | 90.0° | 118.1° |
| H331 | C33 | H332 | 90.0° | 108.2° |
| C34 | N7 | HN7 | 90.0° | 118.2° |
| N7 | C34 | O10 | 90.0° | 125.7° |
| N7 | C34 | O11 | 90.0° | 110.0° |
| O10 | C34 | O11 | 90.0° | 124.3° |
| C34 | O11 | C35 | 90.0° | 116.2° |
| O11 | C35 | C36 | 90.0° | 109.4° |
| O11 | C35 | H351 | 90.0° | 108.5° |
| O11 | C35 | H352 | 90.0° | 107.7° |
| C36 | C35 | H351 | 90.0° | 111.6° |
| C36 | C35 | H352 | 90.0° | 110.7° |
| C35 | C36 | N8 | 90.0° | 110.2° |
| C35 | C36 | C37 | 90.0° | 111.0° |
| C35 | C36 | H36 | 90.0° | 110.0° |
| H351 | C35 | H352 | 90.0° | 108.8° |
| N8 | C36 | C37 | 90.0° | 110.0° |
| N8 | C36 | H36 | 90.0° | 105.2° |
| C36 | N8 | HN81 | 90.0° | 118.7° |
| C36 | N8 | HN82 | 90.0° | 118.6° |
| C37 | C36 | H36 | 90.0° | 110.2° |
| C36 | C37 | O12 | 90.0° | 109.4° |
| C36 | C37 | H371 | 90.0° | 110.8° |
| C36 | C37 | H372 | 90.0° | 111.5° |
| HN81 | N8 | HN82 | 90.0° | 121.3° |
| O12 | C37 | H371 | 90.0° | 107.7° |
| O12 | C37 | H372 | 90.0° | 108.5° |
| C37 | O12 | C38 | 90.0° | 115.9° |
| H371 | C37 | H372 | 90.0° | 108.9° |
| O12 | C38 | O13 | 90.0° | 124.6° |
| O12 | C38 | N9 | 90.0° | 109.9° |
| O13 | C38 | N9 | 90.0° | 125.5° |
| C38 | N9 | C39 | 90.0° | 124.0° |
| C38 | N9 | HN9 | 90.0° | 118.0° |
| C39 | N9 | HN9 | 90.0° | 118.0° |
| N9 | C39 | C40 | 90.0° | 112.5° |
| N9 | C39 | H391 | 90.0° | 106.9° |
| N9 | C39 | H392 | 90.0° | 107.8° |
| C40 | C39 | H391 | 90.0° | 110.1° |
| C40 | C39 | H392 | 90.0° | 111.1° |
| C39 | C40 | C41 | 90.0° | 112.8° |
| C39 | C40 | H401 | 90.0° | 109.3° |
| C39 | C40 | H402 | 90.0° | 110.5° |
| H391 | C39 | H392 | 90.0° | 108.2° |
| C41 | C40 | H401 | 90.0° | 108.9° |
| C41 | C40 | H402 | 90.0° | 109.3° |
| C40 | C41 | O14 | 90.0° | 108.8° |
| C40 | C41 | H411 | 90.0° | 111.2° |
| C40 | C41 | H412 | 90.0° | 110.8° |
| H401 | C40 | H402 | 90.0° | 105.8° |
| O14 | C41 | H411 | 90.0° | 108.4° |
| O14 | C41 | H412 | 90.0° | 108.6° |
| C41 | O14 | C42 | 90.0° | 111.5° |
| H411 | C41 | H412 | 90.0° | 109.0° |
| O14 | C42 | C43 | 90.0° | 109.1° |
| O14 | C42 | H421 | 90.0° | 108.2° |
| O14 | C42 | H422 | 90.0° | 108.3° |
| C43 | C42 | H421 | 90.0° | 111.2° |
| C43 | C42 | H422 | 90.0° | 110.5° |
| C42 | C43 | O15 | 90.0° | 109.1° |
| C42 | C43 | H431 | 90.0° | 111.2° |
| C42 | C43 | H432 | 90.0° | 110.5° |
| H421 | C42 | H422 | 90.0° | 109.7° |
| O15 | C43 | H431 | 90.0° | 108.1° |
| O15 | C43 | H432 | 90.0° | 108.3° |
| C43 | O15 | C44 | 90.0° | 111.6° |
| H431 | C43 | H432 | 90.0° | 109.6° |
| O15 | C44 | C45 | 90.0° | 109.1° |
| O15 | C44 | H441 | 90.0° | 108.1° |
| O15 | C44 | H442 | 90.0° | 108.2° |
| C45 | C44 | H441 | 90.0° | 111.2° |
| C45 | C44 | H442 | 90.0° | 110.5° |
| C44 | C45 | O16 | 90.0° | 109.1° |
| C44 | C45 | H451 | 90.0° | 111.1° |
| C44 | C45 | H452 | 90.0° | 110.5° |
| H441 | C44 | H442 | 90.0° | 109.7° |
| O16 | C45 | H451 | 90.0° | 108.2° |
| O16 | C45 | H452 | 90.0° | 108.3° |
| C45 | O16 | C46 | 90.0° | 111.5° |
| H451 | C45 | H452 | 90.0° | 109.7° |
| O16 | C46 | C47 | 90.0° | 108.7° |
| O16 | C46 | H461 | 90.0° | 108.4° |
| O16 | C46 | H462 | 90.0° | 108.4° |
| C47 | C46 | H461 | 90.0° | 111.3° |
| C47 | C46 | H462 | 90.0° | 110.9° |
| C46 | C47 | C48 | 90.0° | 112.8° |
| C46 | C47 | H471 | 90.0° | 108.9° |
| C46 | C47 | H472 | 90.0° | 109.4° |
| H461 | C46 | H462 | 90.0° | 109.0° |
| C48 | C47 | H471 | 90.0° | 109.3° |
| C48 | C47 | H472 | 90.0° | 110.4° |
| C47 | C48 | N10 | 90.0° | 112.5° |
| C47 | C48 | H481 | 90.0° | 110.1° |
| C47 | C48 | H482 | 90.0° | 111.1° |
| H471 | C47 | H472 | 90.0° | 105.9° |
| N10 | C48 | H481 | 90.0° | 107.0° |
| N10 | C48 | H482 | 90.0° | 107.8° |
| C48 | N10 | C49 | 90.0° | 122.6° |
| C48 | N10 | H10 | 90.0° | 117.5° |
| H481 | C48 | H482 | 90.0° | 108.2° |
| C49 | N10 | H10 | 90.0° | 119.9° |
| N10 | C49 | C50 | 90.0° | 140.9° |
| N10 | C49 | C62 | 90.0° | 127.6° |
| C50 | C49 | C62 | 90.0° | 91.6° |
| C49 | C50 | N11 | 90.0° | 139.3° |
| C49 | C50 | C61 | 90.0° | 94.0° |
| C49 | C62 | C61 | 90.0° | 87.7° |
| C49 | C62 | O18 | 90.0° | 141.5° |
| N11 | C50 | C61 | 90.0° | 126.8° |
| C50 | N11 | C51 | 90.0° | 123.0° |
| C50 | N11 | H11 | 90.0° | 117.1° |
| C50 | C61 | O17 | 90.0° | 142.3° |
| C50 | C61 | C62 | 90.0° | 86.8° |
| C51 | N11 | H11 | 90.0° | 119.9° |
| N11 | C51 | C52 | 90.0° | 112.6° |
| N11 | C51 | H511 | 90.0° | 106.8° |
| N11 | C51 | H512 | 90.0° | 107.8° |
| C52 | C51 | H511 | 90.0° | 109.9° |
| C52 | C51 | H512 | 90.0° | 111.5° |
| C51 | C52 | C53 | 90.0° | 113.8° |
| C51 | C52 | H521 | 90.0° | 109.3° |
| C51 | C52 | H522 | 90.0° | 108.6° |
| H511 | C51 | H512 | 90.0° | 108.0° |
| C53 | C52 | H521 | 90.0° | 108.6° |
| C53 | C52 | H522 | 90.0° | 109.3° |
| C52 | C53 | N12 | 90.0° | 112.6° |
| C52 | C53 | H531 | 90.0° | 111.6° |
| C52 | C53 | H532 | 90.0° | 109.9° |
| H521 | C52 | H522 | 90.0° | 107.0° |
| N12 | C53 | H531 | 90.0° | 107.8° |
| N12 | C53 | H532 | 90.0° | 106.8° |
| C53 | N12 | C54 | 90.0° | 110.8° |
| C53 | N12 | C57 | 90.0° | 110.8° |
| H531 | C53 | H532 | 90.0° | 108.0° |
| C54 | N12 | C57 | 90.0° | 110.5° |
| N12 | C54 | C55 | 90.0° | 110.9° |
| N12 | C54 | H541 | 90.0° | 110.7° |
| N12 | C54 | H542 | 90.0° | 109.6° |
| N12 | C57 | C56 | 90.0° | 110.9° |
| N12 | C57 | H571 | 90.0° | 109.5° |
| N12 | C57 | H572 | 90.0° | 110.7° |
| C55 | C54 | H541 | 90.0° | 109.7° |
| C55 | C54 | H542 | 90.0° | 108.5° |
| C54 | C55 | N15 | 90.0° | 110.8° |
| C54 | C55 | H551 | 90.0° | 109.7° |
| C54 | C55 | H552 | 90.0° | 108.5° |
| H541 | C54 | H542 | 90.0° | 107.3° |
| N15 | C55 | H551 | 90.0° | 110.8° |
| N15 | C55 | H552 | 90.0° | 109.6° |
| C55 | N15 | C56 | 90.0° | 110.4° |
| C55 | N15 | C58 | 90.0° | 110.8° |
| H551 | C55 | H552 | 90.0° | 107.4° |
| C56 | N15 | C58 | 90.0° | 110.8° |
| N15 | C56 | C57 | 90.0° | 110.8° |
| N15 | C56 | H561 | 90.0° | 109.5° |
| N15 | C56 | H562 | 90.0° | 110.8° |
| N15 | C58 | C59 | 90.0° | 112.6° |
| N15 | C58 | H581 | 90.0° | 107.8° |
| N15 | C58 | H582 | 90.0° | 106.9° |
| C57 | C56 | H561 | 90.0° | 108.5° |
| C57 | C56 | H562 | 90.0° | 109.8° |
| C56 | C57 | H571 | 90.0° | 108.6° |
| C56 | C57 | H572 | 90.0° | 109.8° |
| H561 | C56 | H562 | 90.0° | 107.3° |
| H571 | C57 | H572 | 90.0° | 107.4° |
| C59 | C58 | H581 | 90.0° | 111.5° |
| C59 | C58 | H582 | 90.0° | 109.9° |
| C58 | C59 | C60 | 90.0° | 113.9° |
| C58 | C59 | H591 | 90.0° | 108.6° |
| C58 | C59 | H592 | 90.0° | 109.3° |
| H581 | C58 | H582 | 90.0° | 108.0° |
| C60 | C59 | H591 | 90.0° | 109.3° |
| C60 | C59 | H592 | 90.0° | 108.6° |
| C59 | C60 | H601 | 90.0° | 109.9° |
| C59 | C60 | H602 | 90.0° | 111.5° |
| H591 | C59 | H592 | 90.0° | 107.0° |
| H601 | C60 | H602 | 90.0° | 108.0° |
| O17 | C61 | C62 | 90.0° | 130.9° |
| C61 | C62 | O18 | 90.0° | 130.9° |
| O19 | C63 | C76 | 90.0° | 130.9° |
| C63 | C76 | O20 | 90.0° | 130.9° |
| O21 | C77 | C78 | 90.0° | 110.5° |
| O21 | C77 | H77 | 90.0° | 105.8° |
| C77 | O21 | H21 | 90.0° | 106.3° |
| C78 | C77 | H77 | 90.0° | 110.7° |
| C77 | C78 | O22 | 90.0° | 111.0° |
| C77 | C78 | C79 | 90.0° | 111.7° |
| C77 | C78 | H78 | 90.0° | 108.6° |
| O22 | C78 | C79 | 90.0° | 110.1° |
| O22 | C78 | H78 | 90.0° | 107.1° |
| C78 | O22 | H22 | 90.0° | 106.7° |
| C79 | C78 | H78 | 90.0° | 108.2° |
| C78 | C79 | O23 | 90.0° | 109.3° |
| C78 | C79 | H79 | 90.0° | 109.5° |
| O23 | C79 | H79 | 90.0° | 106.8° |
| C79 | O23 | H23 | 90.0° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C73 | C72 | C74 | 123.2° | 121.1° |
| O31 | C73 | C72 | H73 | 117.8° | 117.5° |
| O31 | C73 | C74 | H73 | 117.9° | 117.3° |
| O31 | C73 | C72 | O30 | 64.5° | 64.7° |
| O31 | C73 | C72 | C71 | 177.1° | 174.2° |
| O31 | C73 | C72 | H72 | 56.4° | 52.3° |
| O31 | C73 | C74 | O28 | 179.3° | 177.4° |
| O31 | C73 | C74 | O25 | 58.7° | 53.3° |
| O31 | C73 | C74 | H74 | 61.7° | 63.7° |
| H31 | O31 | C73 | C72 | 146.1° | 150.7° |
| H31 | O31 | C73 | C74 | 22.9° | 28.7° |
| H31 | O31 | C73 | H73 | 96.0° | 90.4° |
| C72 | C73 | C74 | H73 | 118.0° | 121.0° |
| C73 | C72 | O30 | C71 | 120.6° | 121.1° |
| C73 | C72 | O30 | H72 | 118.7° | 119.1° |
| C73 | C72 | C71 | H72 | 118.7° | 121.8° |
| C73 | C72 | O30 | H30 | 21.4° | 29.8° |
| C73 | C72 | C71 | O29 | 67.5° | 67.0° |
| C73 | C72 | C71 | C70 | 53.1° | 52.7° |
| C73 | C72 | C71 | H71 | 173.0° | 175.8° |
| C72 | C73 | C74 | O28 | 56.6° | 55.7° |
| C72 | C73 | C74 | O25 | 65.4° | 68.4° |
| C72 | C73 | C74 | H74 | 174.2° | 174.6° |
| C74 | C73 | C72 | O30 | 172.3° | 174.2° |
| C74 | C73 | C72 | C71 | 53.9° | 53.1° |
| C74 | C73 | C72 | H72 | 66.8° | 68.8° |
| C73 | C74 | O28 | C70 | 59.8° | 59.8° |
| C73 | C74 | O28 | O25 | 118.1° | 123.1° |
| C73 | C74 | O28 | H74 | 121.5° | 120.0° |
| C73 | C74 | O25 | H74 | 121.5° | 119.0° |
| C73 | C74 | O25 | C66 | 170.9° | 149.0° |
| H73 | C73 | C72 | O30 | 53.3° | 52.8° |
| H73 | C73 | C72 | C71 | 65.1° | 68.2° |
| H73 | C73 | C72 | H72 | 174.3° | 169.8° |
| H73 | C73 | C74 | O28 | 61.3° | 65.3° |
| H73 | C73 | C74 | O25 | 176.7° | 170.6° |
| H73 | C73 | C74 | H74 | 56.2° | 53.6° |
| O30 | C72 | C71 | H72 | 120.9° | 117.6° |
| O30 | C72 | C71 | O29 | 52.9° | 53.6° |
| O30 | C72 | C71 | C70 | 173.5° | 173.3° |
| O30 | C72 | C71 | H71 | 66.7° | 63.6° |
| C71 | C72 | O30 | H30 | 142.0° | 150.9° |
| C72 | C71 | O29 | C70 | 119.9° | 120.6° |
| C72 | C71 | O29 | H71 | 120.3° | 119.4° |
| C72 | C71 | C70 | H71 | 120.3° | 122.7° |
| C72 | C71 | O29 | H29 | 68.9° | 40.1° |
| C72 | C71 | C70 | C75 | 175.0° | 175.1° |
| C72 | C71 | C70 | O28 | 56.0° | 55.2° |
| C72 | C71 | C70 | H70 | 64.9° | 64.9° |
| H72 | C72 | O30 | H30 | 97.3° | 89.3° |
| H72 | C72 | C71 | O29 | 173.8° | 171.2° |
| H72 | C72 | C71 | C70 | 65.6° | 69.1° |
| H72 | C72 | C71 | H71 | 54.3° | 54.0° |
| O29 | C71 | C70 | H71 | 119.6° | 117.2° |
| O29 | C71 | C70 | C75 | 54.8° | 54.9° |
| O29 | C71 | C70 | O28 | 64.2° | 65.0° |
| O29 | C71 | C70 | H70 | 174.9° | 175.0° |
| C70 | C71 | O29 | H29 | 51.0° | 80.6° |
| C71 | C70 | C75 | O28 | 122.7° | 121.9° |
| C71 | C70 | C75 | H70 | 116.2° | 121.3° |
| C71 | C70 | O28 | H70 | 116.2° | 120.8° |
| C71 | C70 | C75 | O32 | 178.1° | 179.5° |
| C71 | C70 | C75 | H751 | 58.1° | 60.0° |
| C71 | C70 | C75 | H752 | 62.3° | 60.9° |
| C71 | C70 | O28 | C74 | 60.5° | 59.8° |
| H71 | C71 | O29 | H29 | 170.8° | 159.5° |
| H71 | C71 | C70 | C75 | 64.7° | 62.2° |
| H71 | C71 | C70 | O28 | 176.3° | 177.9° |
| H71 | C71 | C70 | H70 | 55.4° | 57.8° |
| C75 | C70 | O28 | H70 | 120.3° | 116.2° |
| C70 | C75 | O32 | H751 | 120.0° | 120.0° |
| C70 | C75 | O32 | H752 | 119.6° | 120.1° |
| C70 | C75 | H751 | H752 | 119.6° | 121.2° |
| C70 | C75 | O32 | H32 | 138.9° | 13.4° |
| C75 | C70 | O28 | C74 | 176.1° | 177.3° |
| O28 | C70 | C75 | O32 | 59.2° | 57.6° |
| O28 | C70 | C75 | H751 | 179.2° | 61.9° |
| O28 | C70 | C75 | H752 | 60.4° | 177.2° |
| C70 | O28 | C74 | O25 | 58.3° | 63.3° |
| C70 | O28 | C74 | H74 | 178.7° | 179.8° |
| H70 | C70 | C75 | O32 | 61.9° | 59.2° |
| H70 | C70 | C75 | H751 | 58.1° | 178.7° |
| H70 | C70 | C75 | H752 | 178.5° | 60.4° |
| H70 | C70 | O28 | C74 | 55.7° | 61.1° |
| O32 | C75 | H751 | H752 | 119.6° | 119.7° |
| H751 | C75 | O32 | H32 | 18.9° | 106.5° |
| H752 | C75 | O32 | H32 | 101.5° | 133.5° |
| O28 | C74 | O25 | H74 | 117.5° | 117.8° |
| O28 | C74 | O25 | C66 | 68.2° | 87.7° |
| C74 | O25 | C66 | C65 | 87.7° | 60.0° |
| C74 | O25 | C66 | C67 | 94.5° | 120.1° |
| H74 | C74 | O25 | C66 | 49.4° | 30.0° |
| O25 | C66 | C65 | C67 | 177.8° | 179.9° |
| O25 | C66 | C65 | C64 | 179.2° | 180.0° |
| O25 | C66 | C65 | H65 | 0.8° | 0.1° |
| O25 | C66 | C67 | C68 | 179.4° | 180.0° |
| O25 | C66 | C67 | H67 | 0.6° | 0.1° |
| C66 | C65 | C64 | H65 | 180.0° | 179.9° |
| C65 | C66 | C67 | C68 | 1.7° | 0.1° |
| C65 | C66 | C67 | H67 | 178.3° | 180.0° |
| C66 | C65 | C64 | C69 | 1.0° | 0.0° |
| C66 | C65 | C64 | C13 | 179.0° | 179.9° |
| C67 | C66 | C65 | C64 | 1.5° | 0.1° |
| C67 | C66 | C65 | H65 | 178.5° | 180.0° |
| C66 | C67 | C68 | H67 | 180.0° | 180.0° |
| C66 | C67 | C68 | N14 | 178.8° | 180.0° |
| C66 | C67 | C68 | C69 | 1.4° | 0.0° |
| C65 | C64 | C69 | C68 | 0.7° | 0.0° |
| C65 | C64 | C69 | C13 | 180.0° | 179.9° |
| C65 | C64 | C69 | H69 | 179.3° | 180.0° |
| C65 | C64 | C13 | O24 | 9.2° | 154.1° |
| C65 | C64 | C13 | N13 | 171.2° | 27.0° |
| H65 | C65 | C64 | C69 | 179.0° | 180.0° |
| H65 | C65 | C64 | C13 | 0.9° | 0.0° |
| C67 | C68 | N14 | C69 | 179.8° | 180.0° |
| C67 | C68 | N14 | O27 | 178.1° | 180.0° |
| C67 | C68 | N14 | O26 | 0.5° | 0.0° |
| C67 | C68 | C69 | C64 | 0.9° | 0.0° |
| C67 | C68 | C69 | H69 | 179.1° | 180.0° |
| H67 | C67 | C68 | N14 | 1.2° | 0.0° |
| H67 | C67 | C68 | C69 | 178.6° | 180.0° |
| C68 | N14 | O27 | O26 | 178.7° | 180.0° |
| N14 | C68 | C69 | C64 | 179.3° | 180.0° |
| N14 | C68 | C69 | H69 | 0.7° | 0.0° |
| C69 | C68 | N14 | O27 | 2.1° | 0.0° |
| C69 | C68 | N14 | O26 | 179.2° | 180.0° |
| C68 | C69 | C64 | H69 | 180.0° | 180.0° |
| C68 | C69 | C64 | C13 | 179.3° | 179.9° |
| C69 | C64 | C13 | O24 | 170.9° | 25.8° |
| C69 | C64 | C13 | N13 | 8.7° | 153.1° |
| H69 | C69 | C64 | C13 | 0.7° | 0.1° |
| C64 | C13 | O24 | N13 | 179.5° | 178.9° |
| C64 | C13 | N13 | C60 | 52.9° | 178.9° |
| C64 | C13 | N13 | H13 | 127.1° | 3.1° |
| O24 | C13 | N13 | C60 | 126.7° | 0.0° |
| O24 | C13 | N13 | H13 | 53.4° | 175.9° |
| C13 | N13 | C60 | H13 | 180.0° | 175.9° |
| C13 | N13 | C60 | C59 | 90.0° | 90.0° |
| C13 | N13 | C60 | H601 | 90.0° | 149.3° |
| C13 | N13 | C60 | H602 | 90.0° | 33.4° |
| N13 | C60 | C59 | C58 | 90.0° | 58.9° |
| N13 | C60 | C59 | H601 | 90.0° | 118.9° |
| N13 | C60 | C59 | H602 | 90.0° | 121.3° |
| N13 | C60 | C59 | H591 | 90.0° | 179.5° |
| N13 | C60 | C59 | H592 | 90.0° | 63.1° |
| N13 | C60 | H601 | H602 | 90.0° | 115.7° |
| H13 | N13 | C60 | C59 | 90.0° | 85.9° |
| H13 | N13 | C60 | H601 | 90.0° | 34.8° |
| H13 | N13 | C60 | H602 | 90.0° | 150.7° |
| O1 | C1 | C2 | H11A | 90.0° | 119.6° |
| O1 | C1 | C2 | H12 | 90.0° | 119.5° |
| O1 | C1 | H11A | H12 | 90.0° | 119.6° |
| O1 | C1 | C2 | O2 | 90.0° | 58.2° |
| O1 | C1 | C2 | C79 | 90.0° | 179.5° |
| O1 | C1 | C2 | H2 | 90.0° | 58.3° |
| HO1 | O1 | C1 | C2 | 90.0° | 159.6° |
| HO1 | O1 | C1 | H11A | 90.0° | 80.4° |
| HO1 | O1 | C1 | H12 | 90.0° | 39.5° |
| C2 | C1 | H11A | H12 | 90.0° | 121.2° |
| C1 | C2 | O2 | C79 | 90.0° | 123.7° |
| C1 | C2 | O2 | H2 | 90.0° | 116.5° |
| C1 | C2 | C79 | H2 | 90.0° | 120.5° |
| C1 | C2 | O2 | C3 | 90.0° | 175.4° |
| C1 | C2 | C79 | C78 | 90.0° | 175.3° |
| C1 | C2 | C79 | O23 | 90.0° | 54.8° |
| C1 | C2 | C79 | H79 | 90.0° | 63.4° |
| H11A | C1 | C2 | O2 | 90.0° | 177.8° |
| H11A | C1 | C2 | C79 | 90.0° | 60.0° |
| H11A | C1 | C2 | H2 | 90.0° | 61.3° |
| H12 | C1 | C2 | O2 | 90.0° | 61.3° |
| H12 | C1 | C2 | C79 | 90.0° | 61.0° |
| H12 | C1 | C2 | H2 | 90.0° | 177.8° |
| O2 | C2 | C79 | H2 | 90.0° | 119.1° |
| C2 | O2 | C3 | O3 | 90.0° | 177.8° |
| C2 | O2 | C3 | C77 | 90.0° | 61.4° |
| C2 | O2 | C3 | H3 | 90.0° | 59.7° |
| O2 | C2 | C79 | C78 | 90.0° | 55.0° |
| O2 | C2 | C79 | O23 | 90.0° | 65.6° |
| O2 | C2 | C79 | H79 | 90.0° | 176.2° |
| C79 | C2 | O2 | C3 | 90.0° | 60.9° |
| C2 | C79 | C78 | C77 | 90.0° | 51.8° |
| C2 | C79 | C78 | O22 | 90.0° | 175.6° |
| C2 | C79 | C78 | O23 | 90.0° | 121.2° |
| C2 | C79 | C78 | H79 | 90.0° | 122.1° |
| C2 | C79 | C78 | H78 | 90.0° | 67.7° |
| C2 | C79 | O23 | H79 | 90.0° | 120.8° |
| C2 | C79 | O23 | H23 | 90.0° | 95.3° |
| H2 | C2 | O2 | C3 | 90.0° | 58.9° |
| H2 | C2 | C79 | C78 | 90.0° | 64.2° |
| H2 | C2 | C79 | O23 | 90.0° | 175.3° |
| H2 | C2 | C79 | H79 | 90.0° | 57.1° |
| O2 | C3 | O3 | C77 | 90.0° | 122.2° |
| O2 | C3 | O3 | H3 | 90.0° | 118.8° |
| O2 | C3 | C77 | H3 | 90.0° | 120.5° |
| O2 | C3 | O3 | C4 | 90.0° | 58.8° |
| O2 | C3 | C77 | O21 | 90.0° | 65.9° |
| O2 | C3 | C77 | C78 | 90.0° | 55.4° |
| O2 | C3 | C77 | H77 | 90.0° | 177.8° |
| O3 | C3 | C77 | H3 | 90.0° | 117.5° |
| C3 | O3 | C4 | C5 | 90.0° | 60.0° |
| C3 | O3 | C4 | C9 | 90.0° | 120.0° |
| O3 | C3 | C77 | O21 | 90.0° | 56.2° |
| O3 | C3 | C77 | C78 | 90.0° | 177.4° |
| O3 | C3 | C77 | H77 | 90.0° | 60.1° |
| C77 | C3 | O3 | C4 | 90.0° | 178.9° |
| C3 | C77 | O21 | C78 | 90.0° | 120.7° |
| C3 | C77 | O21 | H77 | 90.0° | 119.4° |
| C3 | C77 | C78 | H77 | 90.0° | 122.5° |
| C3 | C77 | O21 | H21 | 90.0° | 93.4° |
| C3 | C77 | C78 | O22 | 90.0° | 175.1° |
| C3 | C77 | C78 | C79 | 90.0° | 51.9° |
| C3 | C77 | C78 | H78 | 90.0° | 67.4° |
| H3 | C3 | O3 | C4 | 90.0° | 60.0° |
| H3 | C3 | C77 | O21 | 90.0° | 173.7° |
| H3 | C3 | C77 | C78 | 90.0° | 65.0° |
| H3 | C3 | C77 | H77 | 90.0° | 57.4° |
| O3 | C4 | C5 | C9 | 90.0° | 180.0° |
| O3 | C4 | C5 | C6 | 90.0° | 180.0° |
| O3 | C4 | C5 | H5 | 90.0° | 0.0° |
| O3 | C4 | C9 | C8 | 90.0° | 180.0° |
| O3 | C4 | C9 | H9 | 90.0° | 0.0° |
| C4 | C5 | C6 | H5 | 90.0° | 179.9° |
| C4 | C5 | C6 | C7 | 90.0° | 0.0° |
| C4 | C5 | C6 | C10 | 90.0° | 180.0° |
| C5 | C4 | C9 | C8 | 90.0° | 0.0° |
| C5 | C4 | C9 | H9 | 90.0° | 180.0° |
| C9 | C4 | C5 | C6 | 90.0° | 0.0° |
| C9 | C4 | C5 | H5 | 90.0° | 180.0° |
| C4 | C9 | C8 | C7 | 90.0° | 0.0° |
| C4 | C9 | C8 | H9 | 90.0° | 180.0° |
| C4 | C9 | C8 | N1 | 90.0° | 180.0° |
| C5 | C6 | C7 | C10 | 90.0° | 179.9° |
| C5 | C6 | C7 | C8 | 90.0° | 0.1° |
| C5 | C6 | C7 | H7 | 90.0° | 180.0° |
| C5 | C6 | C10 | O6 | 90.0° | 154.1° |
| C5 | C6 | C10 | N2 | 90.0° | 27.0° |
| H5 | C5 | C6 | C7 | 90.0° | 180.0° |
| H5 | C5 | C6 | C10 | 90.0° | 0.1° |
| C6 | C7 | C8 | H7 | 90.0° | 180.0° |
| C6 | C7 | C8 | C9 | 90.0° | 0.0° |
| C6 | C7 | C8 | N1 | 90.0° | 180.0° |
| C7 | C6 | C10 | O6 | 90.0° | 25.9° |
| C7 | C6 | C10 | N2 | 90.0° | 153.1° |
| C10 | C6 | C7 | C8 | 90.0° | 180.0° |
| C10 | C6 | C7 | H7 | 90.0° | 0.0° |
| C6 | C10 | O6 | N2 | 90.0° | 178.9° |
| C6 | C10 | N2 | C11 | 90.0° | 178.9° |
| C6 | C10 | N2 | HN2 | 90.0° | 3.0° |
| C7 | C8 | C9 | N1 | 90.0° | 179.9° |
| C7 | C8 | C9 | H9 | 90.0° | 180.0° |
| C7 | C8 | N1 | O4 | 90.0° | 0.1° |
| C7 | C8 | N1 | O5 | 90.0° | 179.9° |
| H7 | C7 | C8 | C9 | 90.0° | 180.0° |
| H7 | C7 | C8 | N1 | 90.0° | 0.0° |
| C9 | C8 | N1 | O4 | 90.0° | 180.0° |
| C9 | C8 | N1 | O5 | 90.0° | 0.0° |
| N1 | C8 | C9 | H9 | 90.0° | 0.0° |
| C8 | N1 | O4 | O5 | 90.0° | 180.0° |
| O6 | C10 | N2 | C11 | 90.0° | 0.0° |
| O6 | C10 | N2 | HN2 | 90.0° | 175.9° |
| C10 | N2 | C11 | HN2 | 90.0° | 176.0° |
| C10 | N2 | C11 | C12 | 90.0° | 90.0° |
| C10 | N2 | C11 | H111 | 90.0° | 149.3° |
| C10 | N2 | C11 | H112 | 90.0° | 33.4° |
| N2 | C11 | C12 | H111 | 90.0° | 118.9° |
| N2 | C11 | C12 | H112 | 90.0° | 121.3° |
| N2 | C11 | H111 | H112 | 90.0° | 115.8° |
| N2 | C11 | C12 | C14 | 90.0° | 59.0° |
| N2 | C11 | C12 | H121 | 90.0° | 179.5° |
| N2 | C11 | C12 | H122 | 90.0° | 63.0° |
| HN2 | N2 | C11 | C12 | 90.0° | 86.0° |
| HN2 | N2 | C11 | H111 | 90.0° | 34.7° |
| HN2 | N2 | C11 | H112 | 90.0° | 150.6° |
| C12 | C11 | H111 | H112 | 90.0° | 121.8° |
| C11 | C12 | C14 | H121 | 90.0° | 122.0° |
| C11 | C12 | C14 | H122 | 90.0° | 121.6° |
| C11 | C12 | H121 | H122 | 90.0° | 117.4° |
| C11 | C12 | C14 | N3 | 90.0° | 58.7° |
| C11 | C12 | C14 | H141 | 90.0° | 180.0° |
| C11 | C12 | C14 | H142 | 90.0° | 60.3° |
| H111 | C11 | C12 | C14 | 90.0° | 60.0° |
| H111 | C11 | C12 | H121 | 90.0° | 61.6° |
| H111 | C11 | C12 | H122 | 90.0° | 178.1° |
| H112 | C11 | C12 | C14 | 90.0° | 179.7° |
| H112 | C11 | C12 | H121 | 90.0° | 58.1° |
| H112 | C11 | C12 | H122 | 90.0° | 58.3° |
| C14 | C12 | H121 | H122 | 90.0° | 117.9° |
| C12 | C14 | N3 | H141 | 90.0° | 123.4° |
| C12 | C14 | N3 | H142 | 90.0° | 120.7° |
| C12 | C14 | H141 | H142 | 90.0° | 120.8° |
| C12 | C14 | N3 | C15 | 90.0° | 63.4° |
| C12 | C14 | N3 | C18 | 90.0° | 173.7° |
| H121 | C12 | C14 | N3 | 90.0° | 63.3° |
| H121 | C12 | C14 | H141 | 90.0° | 58.0° |
| H121 | C12 | C14 | H142 | 90.0° | 177.8° |
| H122 | C12 | C14 | N3 | 90.0° | 179.8° |
| H122 | C12 | C14 | H141 | 90.0° | 58.4° |
| H122 | C12 | C14 | H142 | 90.0° | 61.3° |
| N3 | C14 | H141 | H142 | 90.0° | 115.1° |
| C14 | N3 | C15 | C18 | 90.0° | 123.2° |
| C14 | N3 | C15 | C16 | 90.0° | 179.9° |
| C14 | N3 | C15 | H151 | 90.0° | 57.9° |
| C14 | N3 | C15 | H152 | 90.0° | 60.3° |
| C14 | N3 | C18 | C17 | 90.0° | 179.9° |
| C14 | N3 | C18 | H181 | 90.0° | 60.4° |
| C14 | N3 | C18 | H182 | 90.0° | 57.9° |
| H141 | C14 | N3 | C15 | 90.0° | 60.0° |
| H141 | C14 | N3 | C18 | 90.0° | 62.9° |
| H142 | C14 | N3 | C15 | 90.0° | 175.9° |
| H142 | C14 | N3 | C18 | 90.0° | 52.9° |
| N3 | C15 | C16 | H151 | 90.0° | 122.6° |
| N3 | C15 | C16 | H152 | 90.0° | 120.3° |
| N3 | C15 | H151 | H152 | 90.0° | 119.5° |
| N3 | C15 | C16 | N4 | 90.0° | 57.0° |
| N3 | C15 | C16 | H161 | 90.0° | 65.7° |
| N3 | C15 | C16 | H162 | 90.0° | 177.3° |
| C15 | N3 | C18 | C17 | 90.0° | 56.8° |
| C15 | N3 | C18 | H181 | 90.0° | 176.5° |
| C15 | N3 | C18 | H182 | 90.0° | 65.3° |
| C18 | N3 | C15 | C16 | 90.0° | 56.8° |
| C18 | N3 | C15 | H151 | 90.0° | 65.3° |
| C18 | N3 | C15 | H152 | 90.0° | 176.5° |
| N3 | C18 | C17 | N4 | 90.0° | 57.0° |
| N3 | C18 | C17 | H181 | 90.0° | 120.3° |
| N3 | C18 | C17 | H182 | 90.0° | 122.6° |
| N3 | C18 | C17 | H171 | 90.0° | 177.4° |
| N3 | C18 | C17 | H172 | 90.0° | 65.7° |
| N3 | C18 | H181 | H182 | 90.0° | 120.3° |
| C16 | C15 | H151 | H152 | 90.0° | 117.8° |
| C15 | C16 | N4 | H161 | 90.0° | 122.1° |
| C15 | C16 | N4 | H162 | 90.0° | 119.8° |
| C15 | C16 | H161 | H162 | 90.0° | 117.8° |
| C15 | C16 | N4 | C17 | 90.0° | 56.7° |
| C15 | C16 | N4 | C19 | 90.0° | 179.8° |
| H151 | C15 | C16 | N4 | 90.0° | 65.7° |
| H151 | C15 | C16 | H161 | 90.0° | 171.7° |
| H151 | C15 | C16 | H162 | 90.0° | 54.7° |
| H152 | C15 | C16 | N4 | 90.0° | 177.3° |
| H152 | C15 | C16 | H161 | 90.0° | 54.7° |
| H152 | C15 | C16 | H162 | 90.0° | 62.3° |
| N4 | C16 | H161 | H162 | 90.0° | 119.4° |
| C16 | N4 | C17 | C19 | 90.0° | 123.2° |
| C16 | N4 | C17 | C18 | 90.0° | 56.7° |
| C16 | N4 | C17 | H171 | 90.0° | 176.4° |
| C16 | N4 | C17 | H172 | 90.0° | 65.4° |
| C16 | N4 | C19 | C20 | 90.0° | 63.4° |
| C16 | N4 | C19 | H191 | 90.0° | 59.9° |
| C16 | N4 | C19 | H192 | 90.0° | 175.8° |
| H161 | C16 | N4 | C17 | 90.0° | 65.5° |
| H161 | C16 | N4 | C19 | 90.0° | 57.7° |
| H162 | C16 | N4 | C17 | 90.0° | 176.5° |
| H162 | C16 | N4 | C19 | 90.0° | 60.4° |
| N4 | C17 | C18 | H171 | 90.0° | 120.3° |
| N4 | C17 | C18 | H172 | 90.0° | 122.7° |
| N4 | C17 | H171 | H172 | 90.0° | 120.3° |
| N4 | C17 | C18 | H181 | 90.0° | 177.3° |
| N4 | C17 | C18 | H182 | 90.0° | 65.6° |
| C17 | N4 | C19 | C20 | 90.0° | 173.7° |
| C17 | N4 | C19 | H191 | 90.0° | 63.0° |
| C17 | N4 | C19 | H192 | 90.0° | 52.9° |
| C19 | N4 | C17 | C18 | 90.0° | 179.9° |
| C19 | N4 | C17 | H171 | 90.0° | 60.4° |
| C19 | N4 | C17 | H172 | 90.0° | 57.8° |
| N4 | C19 | C20 | H191 | 90.0° | 121.3° |
| N4 | C19 | C20 | H192 | 90.0° | 119.0° |
| N4 | C19 | H191 | H192 | 90.0° | 115.2° |
| N4 | C19 | C20 | C21 | 90.0° | 58.7° |
| N4 | C19 | C20 | H201 | 90.0° | 63.3° |
| N4 | C19 | C20 | H202 | 90.0° | 179.8° |
| C18 | C17 | H171 | H172 | 90.0° | 118.5° |
| C17 | C18 | H181 | H182 | 90.0° | 118.6° |
| H171 | C17 | C18 | H181 | 90.0° | 62.4° |
| H171 | C17 | C18 | H182 | 90.0° | 54.8° |
| H172 | C17 | C18 | H181 | 90.0° | 54.6° |
| H172 | C17 | C18 | H182 | 90.0° | 171.7° |
| C20 | C19 | H191 | H192 | 90.0° | 120.8° |
| C19 | C20 | C21 | H201 | 90.0° | 121.6° |
| C19 | C20 | C21 | H202 | 90.0° | 122.0° |
| C19 | C20 | H201 | H202 | 90.0° | 117.9° |
| C19 | C20 | C21 | N5 | 90.0° | 61.0° |
| C19 | C20 | C21 | H211 | 90.0° | 180.0° |
| C19 | C20 | C21 | H212 | 90.0° | 60.3° |
| H191 | C19 | C20 | C21 | 90.0° | 180.0° |
| H191 | C19 | C20 | H201 | 90.0° | 58.0° |
| H191 | C19 | C20 | H202 | 90.0° | 58.5° |
| H192 | C19 | C20 | C21 | 90.0° | 60.3° |
| H192 | C19 | C20 | H201 | 90.0° | 177.7° |
| H192 | C19 | C20 | H202 | 90.0° | 61.2° |
| C21 | C20 | H201 | H202 | 90.0° | 117.4° |
| C20 | C21 | N5 | H211 | 90.0° | 120.7° |
| C20 | C21 | N5 | H212 | 90.0° | 123.4° |
| C20 | C21 | H211 | H212 | 90.0° | 121.8° |
| C20 | C21 | N5 | C22 | 90.0° | 179.2° |
| C20 | C21 | N5 | HN5 | 90.0° | 0.7° |
| H201 | C20 | C21 | N5 | 90.0° | 60.6° |
| H201 | C20 | C21 | H211 | 90.0° | 58.4° |
| H201 | C20 | C21 | H212 | 90.0° | 178.1° |
| H202 | C20 | C21 | N5 | 90.0° | 177.0° |
| H202 | C20 | C21 | H211 | 90.0° | 58.0° |
| H202 | C20 | C21 | H212 | 90.0° | 61.7° |
| N5 | C21 | H211 | H212 | 90.0° | 115.8° |
| C21 | N5 | C22 | HN5 | 90.0° | 180.0° |
| C21 | N5 | C22 | C23 | 90.0° | 0.0° |
| C21 | N5 | C22 | C76 | 90.0° | 180.0° |
| H211 | C21 | N5 | C22 | 90.0° | 60.0° |
| H211 | C21 | N5 | HN5 | 90.0° | 120.0° |
| H212 | C21 | N5 | C22 | 90.0° | 55.9° |
| H212 | C21 | N5 | HN5 | 90.0° | 124.1° |
| N5 | C22 | C23 | C76 | 90.0° | 180.0° |
| N5 | C22 | C23 | N6 | 90.0° | 0.0° |
| N5 | C22 | C23 | C63 | 90.0° | 180.0° |
| N5 | C22 | C76 | C63 | 90.0° | 180.0° |
| N5 | C22 | C76 | O20 | 90.0° | 0.0° |
| HN5 | N5 | C22 | C23 | 90.0° | 180.0° |
| HN5 | N5 | C22 | C76 | 90.0° | 0.1° |
| C22 | C23 | N6 | C63 | 90.0° | 179.9° |
| C22 | C23 | N6 | C24 | 90.0° | 0.0° |
| C22 | C23 | N6 | HN6 | 90.0° | 180.0° |
| C22 | C23 | C63 | O19 | 90.0° | 180.0° |
| C23 | C22 | C76 | C63 | 90.0° | 0.0° |
| C23 | C22 | C76 | O20 | 90.0° | 180.0° |
| C76 | C22 | C23 | N6 | 90.0° | 180.0° |
| C22 | C76 | C63 | O19 | 90.0° | 180.0° |
| C22 | C76 | C63 | O20 | 90.0° | 180.0° |
| C23 | N6 | C24 | HN6 | 90.0° | 180.0° |
| C23 | N6 | C24 | C25 | 90.0° | 179.0° |
| C23 | N6 | C24 | H241 | 90.0° | 60.0° |
| C23 | N6 | C24 | H242 | 90.0° | 56.2° |
| N6 | C23 | C63 | O19 | 90.0° | 0.1° |
| N6 | C23 | C63 | C76 | 90.0° | 180.0° |
| C63 | C23 | N6 | C24 | 90.0° | 180.0° |
| C63 | C23 | N6 | HN6 | 90.0° | 0.1° |
| C23 | C63 | O19 | C76 | 90.0° | 179.9° |
| C23 | C63 | C76 | O20 | 90.0° | 180.0° |
| N6 | C24 | C25 | H241 | 90.0° | 119.2° |
| N6 | C24 | C25 | H242 | 90.0° | 120.9° |
| N6 | C24 | H241 | H242 | 90.0° | 115.8° |
| N6 | C24 | C25 | C26 | 90.0° | 60.8° |
| N6 | C24 | C25 | H251 | 90.0° | 177.9° |
| N6 | C24 | C25 | H252 | 90.0° | 61.9° |
| HN6 | N6 | C24 | C25 | 90.0° | 1.1° |
| HN6 | N6 | C24 | H241 | 90.0° | 120.0° |
| HN6 | N6 | C24 | H242 | 90.0° | 123.9° |
| C25 | C24 | H241 | H242 | 90.0° | 121.6° |
| C24 | C25 | C26 | H251 | 90.0° | 121.5° |
| C24 | C25 | C26 | H252 | 90.0° | 123.3° |
| C24 | C25 | H251 | H252 | 90.0° | 118.9° |
| C24 | C25 | C26 | O7 | 90.0° | 179.3° |
| C24 | C25 | C26 | H261 | 90.0° | 60.0° |
| C24 | C25 | C26 | H262 | 90.0° | 61.5° |
| H241 | C24 | C25 | C26 | 90.0° | 180.0° |
| H241 | C24 | C25 | H251 | 90.0° | 58.7° |
| H241 | C24 | C25 | H252 | 90.0° | 57.3° |
| H242 | C24 | C25 | C26 | 90.0° | 60.1° |
| H242 | C24 | C25 | H251 | 90.0° | 61.1° |
| H242 | C24 | C25 | H252 | 90.0° | 177.2° |
| C26 | C25 | H251 | H252 | 90.0° | 117.5° |
| C25 | C26 | O7 | H261 | 90.0° | 121.1° |
| C25 | C26 | O7 | H262 | 90.0° | 120.7° |
| C25 | C26 | H261 | H262 | 90.0° | 122.6° |
| C25 | C26 | O7 | C27 | 90.0° | 180.0° |
| H251 | C25 | C26 | O7 | 90.0° | 59.2° |
| H251 | C25 | C26 | H261 | 90.0° | 178.5° |
| H251 | C25 | C26 | H262 | 90.0° | 60.0° |
| H252 | C25 | C26 | O7 | 90.0° | 56.0° |
| H252 | C25 | C26 | H261 | 90.0° | 63.2° |
| H252 | C25 | C26 | H262 | 90.0° | 175.2° |
| O7 | C26 | H261 | H262 | 90.0° | 117.9° |
| C26 | O7 | C27 | C28 | 90.0° | 179.1° |
| C26 | O7 | C27 | H271 | 90.0° | 60.0° |
| C26 | O7 | C27 | H272 | 90.0° | 58.8° |
| H261 | C26 | O7 | C27 | 90.0° | 58.9° |
| H262 | C26 | O7 | C27 | 90.0° | 59.3° |
| O7 | C27 | C28 | H271 | 90.0° | 119.1° |
| O7 | C27 | C28 | H272 | 90.0° | 118.8° |
| O7 | C27 | H271 | H272 | 90.0° | 117.9° |
| O7 | C27 | C28 | O8 | 90.0° | 60.9° |
| O7 | C27 | C28 | H281 | 90.0° | 180.0° |
| O7 | C27 | C28 | H282 | 90.0° | 58.0° |
| C28 | C27 | H271 | H272 | 90.0° | 122.5° |
| C27 | C28 | O8 | H281 | 90.0° | 121.0° |
| C27 | C28 | O8 | H282 | 90.0° | 120.3° |
| C27 | C28 | H281 | H282 | 90.0° | 122.5° |
| C27 | C28 | O8 | C29 | 90.0° | 180.0° |
| H271 | C27 | C28 | O8 | 90.0° | 180.0° |
| H271 | C27 | C28 | H281 | 90.0° | 60.9° |
| H271 | C27 | C28 | H282 | 90.0° | 61.1° |
| H272 | C27 | C28 | O8 | 90.0° | 57.9° |
| H272 | C27 | C28 | H281 | 90.0° | 61.2° |
| H272 | C27 | C28 | H282 | 90.0° | 176.8° |
| O8 | C28 | H281 | H282 | 90.0° | 117.8° |
| C28 | O8 | C29 | C30 | 90.0° | 180.0° |
| C28 | O8 | C29 | H291 | 90.0° | 59.0° |
| C28 | O8 | C29 | H292 | 90.0° | 59.8° |
| H281 | C28 | O8 | C29 | 90.0° | 59.0° |
| H282 | C28 | O8 | C29 | 90.0° | 59.7° |
| O8 | C29 | C30 | H291 | 90.0° | 119.1° |
| O8 | C29 | C30 | H292 | 90.0° | 118.8° |
| O8 | C29 | H291 | H292 | 90.0° | 117.8° |
| O8 | C29 | C30 | O9 | 90.0° | 60.9° |
| O8 | C29 | C30 | H301 | 90.0° | 180.0° |
| O8 | C29 | C30 | H302 | 90.0° | 58.0° |
| C30 | C29 | H291 | H292 | 90.0° | 122.6° |
| C29 | C30 | O9 | H301 | 90.0° | 120.9° |
| C29 | C30 | O9 | H302 | 90.0° | 120.3° |
| C29 | C30 | H301 | H302 | 90.0° | 122.5° |
| C29 | C30 | O9 | C31 | 90.0° | 179.0° |
| H291 | C29 | C30 | O9 | 90.0° | 180.0° |
| H291 | C29 | C30 | H301 | 90.0° | 60.9° |
| H291 | C29 | C30 | H302 | 90.0° | 61.1° |
| H292 | C29 | C30 | O9 | 90.0° | 57.9° |
| H292 | C29 | C30 | H301 | 90.0° | 61.2° |
| H292 | C29 | C30 | H302 | 90.0° | 176.8° |
| O9 | C30 | H301 | H302 | 90.0° | 117.9° |
| C30 | O9 | C31 | C32 | 90.0° | 180.0° |
| C30 | O9 | C31 | H311 | 90.0° | 59.0° |
| C30 | O9 | C31 | H312 | 90.0° | 59.2° |
| H301 | C30 | O9 | C31 | 90.0° | 60.1° |
| H302 | C30 | O9 | C31 | 90.0° | 58.8° |
| O9 | C31 | C32 | H311 | 90.0° | 119.2° |
| O9 | C31 | C32 | H312 | 90.0° | 119.3° |
| O9 | C31 | H311 | H312 | 90.0° | 117.9° |
| O9 | C31 | C32 | C33 | 90.0° | 179.2° |
| O9 | C31 | C32 | H321 | 90.0° | 59.3° |
| O9 | C31 | C32 | H322 | 90.0° | 55.9° |
| C32 | C31 | H311 | H312 | 90.0° | 122.6° |
| C31 | C32 | C33 | H321 | 90.0° | 121.3° |
| C31 | C32 | C33 | H322 | 90.0° | 122.7° |
| C31 | C32 | H321 | H322 | 90.0° | 117.5° |
| C31 | C32 | C33 | N7 | 90.0° | 60.8° |
| C31 | C32 | C33 | H331 | 90.0° | 180.0° |
| C31 | C32 | C33 | H332 | 90.0° | 60.1° |
| H311 | C31 | C32 | C33 | 90.0° | 60.0° |
| H311 | C31 | C32 | H321 | 90.0° | 178.5° |
| H311 | C31 | C32 | H322 | 90.0° | 63.3° |
| H312 | C31 | C32 | C33 | 90.0° | 61.5° |
| H312 | C31 | C32 | H321 | 90.0° | 60.0° |
| H312 | C31 | C32 | H322 | 90.0° | 175.2° |
| C33 | C32 | H321 | H322 | 90.0° | 118.9° |
| C32 | C33 | N7 | H331 | 90.0° | 121.1° |
| C32 | C33 | N7 | H332 | 90.0° | 122.8° |
| C32 | C33 | H331 | H332 | 90.0° | 121.6° |
| C32 | C33 | N7 | C34 | 90.0° | 90.0° |
| C32 | C33 | N7 | HN7 | 90.0° | 90.0° |
| H321 | C32 | C33 | N7 | 90.0° | 177.9° |
| H321 | C32 | C33 | H331 | 90.0° | 58.7° |
| H321 | C32 | C33 | H332 | 90.0° | 61.2° |
| H322 | C32 | C33 | N7 | 90.0° | 61.9° |
| H322 | C32 | C33 | H331 | 90.0° | 57.3° |
| H322 | C32 | C33 | H332 | 90.0° | 177.2° |
| N7 | C33 | H331 | H332 | 90.0° | 115.9° |
| C33 | N7 | C34 | HN7 | 90.0° | 180.0° |
| C33 | N7 | C34 | O10 | 90.0° | 0.0° |
| C33 | N7 | C34 | O11 | 90.0° | 180.0° |
| H331 | C33 | N7 | C34 | 90.0° | 31.1° |
| H331 | C33 | N7 | HN7 | 90.0° | 148.9° |
| H332 | C33 | N7 | C34 | 90.0° | 147.2° |
| H332 | C33 | N7 | HN7 | 90.0° | 32.8° |
| N7 | C34 | O10 | O11 | 90.0° | 180.0° |
| N7 | C34 | O11 | C35 | 90.0° | 180.0° |
| HN7 | N7 | C34 | O10 | 90.0° | 179.9° |
| HN7 | N7 | C34 | O11 | 90.0° | 0.0° |
| O10 | C34 | O11 | C35 | 90.0° | 0.1° |
| C34 | O11 | C35 | C36 | 90.0° | 90.0° |
| C34 | O11 | C35 | H351 | 90.0° | 32.0° |
| C34 | O11 | C35 | H352 | 90.0° | 149.6° |
| O11 | C35 | C36 | H351 | 90.0° | 120.1° |
| O11 | C35 | C36 | H352 | 90.0° | 118.6° |
| O11 | C35 | H351 | H352 | 90.0° | 116.9° |
| O11 | C35 | C36 | N8 | 90.0° | 177.9° |
| O11 | C35 | C36 | C37 | 90.0° | 59.9° |
| O11 | C35 | C36 | H36 | 90.0° | 62.3° |
| C36 | C35 | H351 | H352 | 90.0° | 122.5° |
| C35 | C36 | N8 | C37 | 90.0° | 122.8° |
| C35 | C36 | N8 | H36 | 90.0° | 118.5° |
| C35 | C36 | C37 | H36 | 90.0° | 122.1° |
| C35 | C36 | N8 | HN81 | 90.0° | 123.6° |
| C35 | C36 | N8 | HN82 | 90.0° | 69.9° |
| C35 | C36 | C37 | O12 | 90.0° | 178.6° |
| C35 | C36 | C37 | H371 | 90.0° | 60.0° |
| C35 | C36 | C37 | H372 | 90.0° | 61.5° |
| H351 | C35 | C36 | N8 | 90.0° | 57.8° |
| H351 | C35 | C36 | C37 | 90.0° | 180.0° |
| H351 | C35 | C36 | H36 | 90.0° | 57.8° |
| H352 | C35 | C36 | N8 | 90.0° | 63.6° |
| H352 | C35 | C36 | C37 | 90.0° | 58.6° |
| H352 | C35 | C36 | H36 | 90.0° | 179.1° |
| N8 | C36 | C37 | H36 | 90.0° | 115.6° |
| C36 | N8 | HN81 | HN82 | 90.0° | 166.2° |
| N8 | C36 | C37 | O12 | 90.0° | 59.1° |
| N8 | C36 | C37 | H371 | 90.0° | 177.7° |
| N8 | C36 | C37 | H372 | 90.0° | 60.8° |
| C37 | C36 | N8 | HN81 | 90.0° | 113.6° |
| C37 | C36 | N8 | HN82 | 90.0° | 52.9° |
| C36 | C37 | O12 | H371 | 90.0° | 120.5° |
| C36 | C37 | O12 | H372 | 90.0° | 121.8° |
| C36 | C37 | H371 | H372 | 90.0° | 123.0° |
| C36 | C37 | O12 | C38 | 90.0° | 180.0° |
| H36 | C36 | N8 | HN81 | 90.0° | 5.1° |
| H36 | C36 | N8 | HN82 | 90.0° | 171.6° |
| H36 | C36 | C37 | O12 | 90.0° | 56.5° |
| H36 | C36 | C37 | H371 | 90.0° | 62.2° |
| H36 | C36 | C37 | H372 | 90.0° | 176.4° |
| O12 | C37 | H371 | H372 | 90.0° | 117.4° |
| C37 | O12 | C38 | O13 | 90.0° | 0.0° |
| C37 | O12 | C38 | N9 | 90.0° | 180.0° |
| H371 | C37 | O12 | C38 | 90.0° | 59.5° |
| H372 | C37 | O12 | C38 | 90.0° | 58.2° |
| O12 | C38 | O13 | N9 | 90.0° | 180.0° |
| O12 | C38 | N9 | C39 | 90.0° | 180.0° |
| O12 | C38 | N9 | HN9 | 90.0° | 0.0° |
| O13 | C38 | N9 | C39 | 90.0° | 0.0° |
| O13 | C38 | N9 | HN9 | 90.0° | 180.0° |
| C38 | N9 | C39 | HN9 | 90.0° | 180.0° |
| C38 | N9 | C39 | C40 | 90.0° | 90.0° |
| C38 | N9 | C39 | H391 | 90.0° | 31.0° |
| C38 | N9 | C39 | H392 | 90.0° | 147.2° |
| N9 | C39 | C40 | H391 | 90.0° | 119.2° |
| N9 | C39 | C40 | H392 | 90.0° | 121.0° |
| N9 | C39 | H391 | H392 | 90.0° | 115.9° |
| N9 | C39 | C40 | C41 | 90.0° | 60.9° |
| N9 | C39 | C40 | H401 | 90.0° | 177.9° |
| N9 | C39 | C40 | H402 | 90.0° | 61.8° |
| HN9 | N9 | C39 | C40 | 90.0° | 90.0° |
| HN9 | N9 | C39 | H391 | 90.0° | 149.0° |
| HN9 | N9 | C39 | H392 | 90.0° | 32.8° |
| C40 | C39 | H391 | H392 | 90.0° | 121.6° |
| C39 | C40 | C41 | H401 | 90.0° | 121.5° |
| C39 | C40 | C41 | H402 | 90.0° | 123.4° |
| C39 | C40 | H401 | H402 | 90.0° | 119.0° |
| C39 | C40 | C41 | O14 | 90.0° | 179.3° |
| C39 | C40 | C41 | H411 | 90.0° | 60.0° |
| C39 | C40 | C41 | H412 | 90.0° | 61.4° |
| H391 | C39 | C40 | C41 | 90.0° | 180.0° |
| H391 | C39 | C40 | H401 | 90.0° | 58.7° |
| H391 | C39 | C40 | H402 | 90.0° | 57.3° |
| H392 | C39 | C40 | C41 | 90.0° | 60.1° |
| H392 | C39 | C40 | H401 | 90.0° | 61.2° |
| H392 | C39 | C40 | H402 | 90.0° | 177.2° |
| C41 | C40 | H401 | H402 | 90.0° | 117.4° |
| C40 | C41 | O14 | H411 | 90.0° | 121.0° |
| C40 | C41 | O14 | H412 | 90.0° | 120.7° |
| C40 | C41 | H411 | H412 | 90.0° | 122.5° |
| C40 | C41 | O14 | C42 | 90.0° | 180.0° |
| H401 | C40 | C41 | O14 | 90.0° | 59.2° |
| H401 | C40 | C41 | H411 | 90.0° | 178.5° |
| H401 | C40 | C41 | H412 | 90.0° | 60.1° |
| H402 | C40 | C41 | O14 | 90.0° | 55.9° |
| H402 | C40 | C41 | H411 | 90.0° | 63.3° |
| H402 | C40 | C41 | H412 | 90.0° | 175.2° |
| O14 | C41 | H411 | H412 | 90.0° | 118.0° |
| C41 | O14 | C42 | C43 | 90.0° | 179.0° |
| C41 | O14 | C42 | H421 | 90.0° | 60.0° |
| C41 | O14 | C42 | H422 | 90.0° | 58.8° |
| H411 | C41 | O14 | C42 | 90.0° | 58.9° |
| H412 | C41 | O14 | C42 | 90.0° | 59.3° |
| O14 | C42 | C43 | H421 | 90.0° | 119.2° |
| O14 | C42 | C43 | H422 | 90.0° | 118.9° |
| O14 | C42 | H421 | H422 | 90.0° | 117.9° |
| O14 | C42 | C43 | O15 | 90.0° | 60.9° |
| O14 | C42 | C43 | H431 | 90.0° | 180.0° |
| O14 | C42 | C43 | H432 | 90.0° | 58.0° |
| C43 | C42 | H421 | H422 | 90.0° | 122.4° |
| C42 | C43 | O15 | H431 | 90.0° | 121.0° |
| C42 | C43 | O15 | H432 | 90.0° | 120.3° |
| C42 | C43 | H431 | H432 | 90.0° | 122.5° |
| C42 | C43 | O15 | C44 | 90.0° | 180.0° |
| H421 | C42 | C43 | O15 | 90.0° | 180.0° |
| H421 | C42 | C43 | H431 | 90.0° | 60.8° |
| H421 | C42 | C43 | H432 | 90.0° | 61.1° |
| H422 | C42 | C43 | O15 | 90.0° | 58.0° |
| H422 | C42 | C43 | H431 | 90.0° | 61.1° |
| H422 | C42 | C43 | H432 | 90.0° | 176.9° |
| O15 | C43 | H431 | H432 | 90.0° | 117.8° |
| C43 | O15 | C44 | C45 | 90.0° | 180.0° |
| C43 | O15 | C44 | H441 | 90.0° | 59.0° |
| C43 | O15 | C44 | H442 | 90.0° | 59.8° |
| H431 | C43 | O15 | C44 | 90.0° | 59.0° |
| H432 | C43 | O15 | C44 | 90.0° | 59.7° |
| O15 | C44 | C45 | H441 | 90.0° | 119.2° |
| O15 | C44 | C45 | H442 | 90.0° | 118.8° |
| O15 | C44 | H441 | H442 | 90.0° | 117.8° |
| O15 | C44 | C45 | O16 | 90.0° | 60.9° |
| O15 | C44 | C45 | H451 | 90.0° | 180.0° |
| O15 | C44 | C45 | H452 | 90.0° | 58.0° |
| C45 | C44 | H441 | H442 | 90.0° | 122.5° |
| C44 | C45 | O16 | H451 | 90.0° | 121.0° |
| C44 | C45 | O16 | H452 | 90.0° | 120.3° |
| C44 | C45 | H451 | H452 | 90.0° | 122.5° |
| C44 | C45 | O16 | C46 | 90.0° | 179.1° |
| H441 | C44 | C45 | O16 | 90.0° | 180.0° |
| H441 | C44 | C45 | H451 | 90.0° | 60.9° |
| H441 | C44 | C45 | H452 | 90.0° | 61.1° |
| H442 | C44 | C45 | O16 | 90.0° | 58.0° |
| H442 | C44 | C45 | H451 | 90.0° | 61.2° |
| H442 | C44 | C45 | H452 | 90.0° | 176.9° |
| O16 | C45 | H451 | H452 | 90.0° | 117.9° |
| C45 | O16 | C46 | C47 | 90.0° | 180.0° |
| C45 | O16 | C46 | H461 | 90.0° | 58.9° |
| C45 | O16 | C46 | H462 | 90.0° | 59.3° |
| H451 | C45 | O16 | C46 | 90.0° | 60.0° |
| H452 | C45 | O16 | C46 | 90.0° | 58.8° |
| O16 | C46 | C47 | H461 | 90.0° | 119.3° |
| O16 | C46 | C47 | H462 | 90.0° | 119.1° |
| O16 | C46 | H461 | H462 | 90.0° | 117.8° |
| O16 | C46 | C47 | C48 | 90.0° | 179.3° |
| O16 | C46 | C47 | H471 | 90.0° | 59.2° |
| O16 | C46 | C47 | H472 | 90.0° | 56.1° |
| C47 | C46 | H461 | H462 | 90.0° | 122.7° |
| C46 | C47 | C48 | H471 | 90.0° | 121.3° |
| C46 | C47 | C48 | H472 | 90.0° | 122.7° |
| C46 | C47 | H471 | H472 | 90.0° | 117.5° |
| C46 | C47 | C48 | N10 | 90.0° | 60.8° |
| C46 | C47 | C48 | H481 | 90.0° | 180.0° |
| C46 | C47 | C48 | H482 | 90.0° | 60.2° |
| H461 | C46 | C47 | C48 | 90.0° | 60.0° |
| H461 | C46 | C47 | H471 | 90.0° | 178.5° |
| H461 | C46 | C47 | H472 | 90.0° | 63.2° |
| H462 | C46 | C47 | C48 | 90.0° | 61.6° |
| H462 | C46 | C47 | H471 | 90.0° | 59.9° |
| H462 | C46 | C47 | H472 | 90.0° | 175.2° |
| C48 | C47 | H471 | H472 | 90.0° | 118.9° |
| C47 | C48 | N10 | H481 | 90.0° | 121.0° |
| C47 | C48 | N10 | H482 | 90.0° | 122.8° |
| C47 | C48 | H481 | H482 | 90.0° | 121.5° |
| C47 | C48 | N10 | C49 | 90.0° | 179.0° |
| C47 | C48 | N10 | H10 | 90.0° | 1.0° |
| H471 | C47 | C48 | N10 | 90.0° | 177.9° |
| H471 | C47 | C48 | H481 | 90.0° | 58.7° |
| H471 | C47 | C48 | H482 | 90.0° | 61.1° |
| H472 | C47 | C48 | N10 | 90.0° | 61.9° |
| H472 | C47 | C48 | H481 | 90.0° | 57.4° |
| H472 | C47 | C48 | H482 | 90.0° | 177.1° |
| N10 | C48 | H481 | H482 | 90.0° | 115.9° |
| C48 | N10 | C49 | H10 | 90.0° | 180.0° |
| C48 | N10 | C49 | C50 | 90.0° | 0.0° |
| C48 | N10 | C49 | C62 | 90.0° | 180.0° |
| H481 | C48 | N10 | C49 | 90.0° | 60.0° |
| H481 | C48 | N10 | H10 | 90.0° | 120.0° |
| H482 | C48 | N10 | C49 | 90.0° | 56.2° |
| H482 | C48 | N10 | H10 | 90.0° | 123.9° |
| N10 | C49 | C50 | C62 | 90.0° | 180.0° |
| N10 | C49 | C50 | N11 | 90.0° | 0.0° |
| N10 | C49 | C50 | C61 | 90.0° | 180.0° |
| N10 | C49 | C62 | C61 | 90.0° | 180.0° |
| N10 | C49 | C62 | O18 | 90.0° | 0.2° |
| H10 | N10 | C49 | C50 | 90.0° | 180.0° |
| H10 | N10 | C49 | C62 | 90.0° | 0.0° |
| C49 | C50 | N11 | C61 | 90.0° | 180.0° |
| C49 | C50 | N11 | C51 | 90.0° | 0.0° |
| C49 | C50 | N11 | H11 | 90.0° | 179.9° |
| C49 | C50 | C61 | O17 | 90.0° | 180.0° |
| C50 | C49 | C62 | C61 | 90.0° | 0.0° |
| C50 | C49 | C62 | O18 | 90.0° | 179.9° |
| C62 | C49 | C50 | N11 | 90.0° | 180.0° |
| C49 | C62 | C61 | O17 | 90.0° | 180.0° |
| C49 | C62 | C61 | O18 | 90.0° | 179.9° |
| C50 | N11 | C51 | H11 | 90.0° | 180.0° |
| C50 | N11 | C51 | C52 | 90.0° | 179.3° |
| C50 | N11 | C51 | H511 | 90.0° | 60.0° |
| C50 | N11 | C51 | H512 | 90.0° | 55.9° |
| N11 | C50 | C61 | O17 | 90.0° | 0.0° |
| N11 | C50 | C61 | C62 | 90.0° | 180.0° |
| C61 | C50 | N11 | C51 | 90.0° | 180.0° |
| C61 | C50 | N11 | H11 | 90.0° | 0.0° |
| C50 | C61 | O17 | C62 | 90.0° | 180.0° |
| C50 | C61 | C62 | O18 | 90.0° | 179.9° |
| N11 | C51 | C52 | H511 | 90.0° | 119.0° |
| N11 | C51 | C52 | H512 | 90.0° | 121.3° |
| N11 | C51 | H511 | H512 | 90.0° | 115.7° |
| N11 | C51 | C52 | C53 | 90.0° | 61.0° |
| N11 | C51 | C52 | H521 | 90.0° | 60.5° |
| N11 | C51 | C52 | H522 | 90.0° | 177.0° |
| H11 | N11 | C51 | C52 | 90.0° | 0.7° |
| H11 | N11 | C51 | H511 | 90.0° | 120.0° |
| H11 | N11 | C51 | H512 | 90.0° | 124.1° |
| C52 | C51 | H511 | H512 | 90.0° | 121.8° |
| C51 | C52 | C53 | H521 | 90.0° | 122.0° |
| C51 | C52 | C53 | H522 | 90.0° | 121.6° |
| C51 | C52 | H521 | H522 | 90.0° | 117.4° |
| C51 | C52 | C53 | N12 | 90.0° | 58.6° |
| C51 | C52 | C53 | H531 | 90.0° | 180.0° |
| C51 | C52 | C53 | H532 | 90.0° | 60.3° |
| H511 | C51 | C52 | C53 | 90.0° | 180.0° |
| H511 | C51 | C52 | H521 | 90.0° | 58.4° |
| H511 | C51 | C52 | H522 | 90.0° | 58.0° |
| H512 | C51 | C52 | C53 | 90.0° | 60.3° |
| H512 | C51 | C52 | H521 | 90.0° | 178.1° |
| H512 | C51 | C52 | H522 | 90.0° | 61.7° |
| C53 | C52 | H521 | H522 | 90.0° | 117.9° |
| C52 | C53 | N12 | H531 | 90.0° | 123.5° |
| C52 | C53 | N12 | H532 | 90.0° | 120.7° |
| C52 | C53 | H531 | H532 | 90.0° | 120.8° |
| C52 | C53 | N12 | C54 | 90.0° | 63.4° |
| C52 | C53 | N12 | C57 | 90.0° | 173.6° |
| H521 | C52 | C53 | N12 | 90.0° | 63.3° |
| H521 | C52 | C53 | H531 | 90.0° | 58.0° |
| H521 | C52 | C53 | H532 | 90.0° | 177.7° |
| H522 | C52 | C53 | N12 | 90.0° | 179.7° |
| H522 | C52 | C53 | H531 | 90.0° | 58.4° |
| H522 | C52 | C53 | H532 | 90.0° | 61.3° |
| N12 | C53 | H531 | H532 | 90.0° | 115.1° |
| C53 | N12 | C54 | C57 | 90.0° | 123.2° |
| C53 | N12 | C54 | C55 | 90.0° | 179.8° |
| C53 | N12 | C54 | H541 | 90.0° | 57.8° |
| C53 | N12 | C54 | H542 | 90.0° | 60.4° |
| C53 | N12 | C57 | C56 | 90.0° | 179.8° |
| C53 | N12 | C57 | H571 | 90.0° | 60.4° |
| C53 | N12 | C57 | H572 | 90.0° | 57.8° |
| H531 | C53 | N12 | C54 | 90.0° | 60.1° |
| H531 | C53 | N12 | C57 | 90.0° | 62.9° |
| H532 | C53 | N12 | C54 | 90.0° | 175.9° |
| H532 | C53 | N12 | C57 | 90.0° | 52.9° |
| N12 | C54 | C55 | H541 | 90.0° | 122.6° |
| N12 | C54 | C55 | H542 | 90.0° | 120.4° |
| N12 | C54 | H541 | H542 | 90.0° | 119.6° |
| N12 | C54 | C55 | N15 | 90.0° | 56.9° |
| N12 | C54 | C55 | H551 | 90.0° | 65.7° |
| N12 | C54 | C55 | H552 | 90.0° | 177.3° |
| C54 | N12 | C57 | C56 | 90.0° | 56.7° |
| C54 | N12 | C57 | H571 | 90.0° | 176.4° |
| C54 | N12 | C57 | H572 | 90.0° | 65.4° |
| C57 | N12 | C54 | C55 | 90.0° | 56.6° |
| C57 | N12 | C54 | H541 | 90.0° | 65.4° |
| C57 | N12 | C54 | H542 | 90.0° | 176.4° |
| N12 | C57 | C56 | N15 | 90.0° | 57.0° |
| N12 | C57 | C56 | H571 | 90.0° | 120.3° |
| N12 | C57 | C56 | H572 | 90.0° | 122.6° |
| N12 | C57 | C56 | H561 | 90.0° | 177.3° |
| N12 | C57 | C56 | H562 | 90.0° | 65.7° |
| N12 | C57 | H571 | H572 | 90.0° | 120.3° |
| C55 | C54 | H541 | H542 | 90.0° | 117.7° |
| C54 | C55 | N15 | H551 | 90.0° | 122.0° |
| C54 | C55 | N15 | H552 | 90.0° | 119.7° |
| C54 | C55 | H551 | H552 | 90.0° | 117.7° |
| C54 | C55 | N15 | C56 | 90.0° | 56.8° |
| C54 | C55 | N15 | C58 | 90.0° | 179.9° |
| H541 | C54 | C55 | N15 | 90.0° | 65.7° |
| H541 | C54 | C55 | H551 | 90.0° | 171.7° |
| H541 | C54 | C55 | H552 | 90.0° | 54.7° |
| H542 | C54 | C55 | N15 | 90.0° | 177.4° |
| H542 | C54 | C55 | H551 | 90.0° | 54.7° |
| H542 | C54 | C55 | H552 | 90.0° | 62.3° |
| N15 | C55 | H551 | H552 | 90.0° | 119.6° |
| C55 | N15 | C56 | C58 | 90.0° | 123.1° |
| C55 | N15 | C56 | C57 | 90.0° | 56.9° |
| C55 | N15 | C56 | H561 | 90.0° | 176.6° |
| C55 | N15 | C56 | H562 | 90.0° | 65.2° |
| C55 | N15 | C58 | C59 | 90.0° | 63.4° |
| C55 | N15 | C58 | H581 | 90.0° | 60.0° |
| C55 | N15 | C58 | H582 | 90.0° | 175.9° |
| H551 | C55 | N15 | C56 | 90.0° | 65.2° |
| H551 | C55 | N15 | C58 | 90.0° | 57.9° |
| H552 | C55 | N15 | C56 | 90.0° | 176.5° |
| H552 | C55 | N15 | C58 | 90.0° | 60.4° |
| N15 | C56 | C57 | H561 | 90.0° | 120.3° |
| N15 | C56 | C57 | H562 | 90.0° | 122.7° |
| N15 | C56 | H561 | H562 | 90.0° | 120.3° |
| N15 | C56 | C57 | H571 | 90.0° | 177.4° |
| N15 | C56 | C57 | H572 | 90.0° | 65.6° |
| C56 | N15 | C58 | C59 | 90.0° | 173.7° |
| C56 | N15 | C58 | H581 | 90.0° | 62.9° |
| C56 | N15 | C58 | H582 | 90.0° | 53.0° |
| C58 | N15 | C56 | C57 | 90.0° | 180.0° |
| C58 | N15 | C56 | H561 | 90.0° | 60.3° |
| C58 | N15 | C56 | H562 | 90.0° | 57.9° |
| N15 | C58 | C59 | H581 | 90.0° | 121.3° |
| N15 | C58 | C59 | H582 | 90.0° | 118.9° |
| N15 | C58 | H581 | H582 | 90.0° | 115.2° |
| N15 | C58 | C59 | C60 | 90.0° | 58.7° |
| N15 | C58 | C59 | H591 | 90.0° | 63.3° |
| N15 | C58 | C59 | H592 | 90.0° | 179.7° |
| C57 | C56 | H561 | H562 | 90.0° | 118.6° |
| C56 | C57 | H571 | H572 | 90.0° | 118.6° |
| H561 | C56 | C57 | H571 | 90.0° | 62.4° |
| H561 | C56 | C57 | H572 | 90.0° | 54.7° |
| H562 | C56 | C57 | H571 | 90.0° | 54.7° |
| H562 | C56 | C57 | H572 | 90.0° | 171.7° |
| C59 | C58 | H581 | H582 | 90.0° | 120.8° |
| C58 | C59 | C60 | H591 | 90.0° | 121.6° |
| C58 | C59 | C60 | H592 | 90.0° | 122.0° |
| C58 | C59 | H591 | H592 | 90.0° | 117.9° |
| C58 | C59 | C60 | H601 | 90.0° | 60.0° |
| C58 | C59 | C60 | H602 | 90.0° | 179.7° |
| H581 | C58 | C59 | C60 | 90.0° | 180.0° |
| H581 | C58 | C59 | H591 | 90.0° | 58.0° |
| H581 | C58 | C59 | H592 | 90.0° | 58.4° |
| H582 | C58 | C59 | C60 | 90.0° | 60.3° |
| H582 | C58 | C59 | H591 | 90.0° | 177.8° |
| H582 | C58 | C59 | H592 | 90.0° | 61.3° |
| C60 | C59 | H591 | H592 | 90.0° | 117.4° |
| C59 | C60 | H601 | H602 | 90.0° | 121.9° |
| H591 | C59 | C60 | H601 | 90.0° | 61.6° |
| H591 | C59 | C60 | H602 | 90.0° | 58.2° |
| H592 | C59 | C60 | H601 | 90.0° | 178.0° |
| H592 | C59 | C60 | H602 | 90.0° | 58.3° |
| O17 | C61 | C62 | O18 | 90.0° | 0.1° |
| O19 | C63 | C76 | O20 | 90.0° | 0.1° |
| O21 | C77 | C78 | H77 | 90.0° | 116.8° |
| O21 | C77 | C78 | O22 | 90.0° | 54.4° |
| O21 | C77 | C78 | C79 | 90.0° | 68.8° |
| O21 | C77 | C78 | H78 | 90.0° | 171.9° |
| C78 | C77 | O21 | H21 | 90.0° | 27.3° |
| C77 | C78 | O22 | C79 | 90.0° | 124.2° |
| C77 | C78 | O22 | H78 | 90.0° | 118.4° |
| C77 | C78 | C79 | H78 | 90.0° | 119.6° |
| C77 | C78 | O22 | H22 | 90.0° | 141.2° |
| C77 | C78 | C79 | O23 | 90.0° | 69.3° |
| C77 | C78 | C79 | H79 | 90.0° | 174.0° |
| H77 | C77 | O21 | H21 | 90.0° | 147.2° |
| H77 | C77 | C78 | O22 | 90.0° | 62.4° |
| H77 | C77 | C78 | C79 | 90.0° | 174.4° |
| H77 | C77 | C78 | H78 | 90.0° | 55.1° |
| O22 | C78 | C79 | H78 | 90.0° | 116.7° |
| O22 | C78 | C79 | O23 | 90.0° | 54.4° |
| O22 | C78 | C79 | H79 | 90.0° | 62.3° |
| C79 | C78 | O22 | H22 | 90.0° | 17.0° |
| C78 | C79 | O23 | H79 | 90.0° | 118.4° |
| C78 | C79 | O23 | H23 | 90.0° | 143.8° |
| H78 | C78 | O22 | H22 | 90.0° | 100.4° |
| H78 | C78 | C79 | O23 | 90.0° | 171.1° |
| H78 | C78 | C79 | H79 | 90.0° | 54.4° |
| H79 | C79 | O23 | H23 | 90.0° | 25.4° |
