BV3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C60 | sing | 1.42Å | 1.42Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C60 | C59 | sing | 1.53Å | 1.54Å | |
| C60 | C61 | sing | 1.53Å | 1.51Å | |
| C60 | H60 | sing | 1.10Å | 1.10Å | |
| C59 | O23 | sing | 1.43Å | 1.43Å | |
| C59 | C58 | sing | 1.53Å | 1.54Å | |
| C59 | H59 | sing | 1.10Å | 1.10Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C58 | O22 | sing | 1.43Å | 1.42Å | |
| C58 | C62 | sing | 1.53Å | 1.52Å | |
| C58 | H58 | sing | 1.10Å | 1.10Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C62 | C63 | sing | 1.53Å | 1.55Å | |
| C62 | O25 | sing | 1.44Å | 1.44Å | |
| C62 | H62 | sing | 1.10Å | 1.10Å | |
| C63 | O26 | sing | 1.42Å | 1.43Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å | |
| O25 | C61 | sing | 1.43Å | 1.44Å | |
| C61 | O19 | sing | 1.43Å | 1.43Å | |
| C61 | H61 | sing | 1.10Å | 1.10Å | |
| O19 | C56 | sing | 1.37Å | 1.37Å | |
| C56 | C57 | doub | 1.39Å | 1.39Å | Aromatic |
| C56 | C55 | sing | 1.39Å | 1.39Å | Aromatic |
| C57 | C52 | sing | 1.40Å | 1.39Å | Aromatic |
| C57 | H57 | sing | 1.09Å | 1.08Å | |
| C55 | C54 | doub | 1.39Å | 1.39Å | Aromatic |
| C55 | H55 | sing | 1.09Å | 1.08Å | |
| C54 | N15 | sing | 1.42Å | 1.35Å | |
| C54 | C53 | sing | 1.40Å | 1.39Å | Aromatic |
| N15 | O21 | sing | 1.25Å | 1.46Å | |
| N15 | O20 | doub | 1.25Å | 1.39Å | |
| C53 | C52 | doub | 1.40Å | 1.39Å | Aromatic |
| C53 | H53 | sing | 1.09Å | 1.08Å | |
| C52 | C51 | sing | 1.45Å | 1.52Å | |
| C51 | O18 | doub | 1.24Å | 1.22Å | |
| C51 | N14 | sing | 1.40Å | 1.33Å | |
| N14 | C43 | sing | 1.44Å | 22.55Å | |
| N14 | H14 | 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 | C50 | 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 | C48 | sing | 1.53Å | 0.00Å | |
| C3 | H3 | sing | 1.10Å | 0.00Å | |
| O3 | C4 | sing | 1.36Å | 0.00Å | |
| C4 | C5 | doub | 1.40Å | 0.00Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 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 | 1.40Å | 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 | C13 | sing | 1.53Å | 0.00Å | |
| C12 | H121 | sing | 1.10Å | 0.00Å | |
| C12 | H122 | sing | 1.10Å | 0.00Å | |
| C13 | N3 | sing | 1.46Å | 0.00Å | |
| C13 | H131 | sing | 1.09Å | 0.00Å | |
| C13 | H132 | sing | 1.09Å | 0.00Å | |
| N3 | C14 | sing | 1.47Å | 0.00Å | |
| N3 | C17 | sing | 1.47Å | 0.00Å | |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C14 | H141 | sing | 1.10Å | 0.00Å | |
| C14 | H142 | sing | 1.10Å | 0.00Å | |
| C15 | N4 | sing | 1.47Å | 0.00Å | |
| C15 | H151 | sing | 1.10Å | 0.00Å | |
| C15 | H152 | sing | 1.10Å | 0.00Å | |
| N4 | C16 | sing | 1.47Å | 0.00Å | |
| N4 | C18 | sing | 1.46Å | 0.00Å | |
| C16 | C17 | sing | 1.53Å | 0.00Å | |
| C16 | H161 | sing | 1.10Å | 0.00Å | |
| C16 | H162 | sing | 1.10Å | 0.00Å | |
| C17 | H171 | sing | 1.10Å | 0.00Å | |
| C17 | H172 | sing | 1.10Å | 0.00Å | |
| C18 | C19 | sing | 1.53Å | 0.00Å | |
| C18 | H181 | sing | 1.09Å | 0.00Å | |
| C18 | H182 | sing | 1.09Å | 0.00Å | |
| C19 | C20 | sing | 1.53Å | 0.00Å | |
| C19 | H191 | sing | 1.10Å | 0.00Å | |
| C19 | H192 | sing | 1.10Å | 0.00Å | |
| C20 | N5 | sing | 1.47Å | 0.00Å | |
| C20 | H201 | sing | 1.09Å | 0.00Å | |
| C20 | H202 | sing | 1.09Å | 0.00Å | |
| N5 | C21 | sing | 1.31Å | 0.00Å | |
| N5 | HN5 | sing | 1.02Å | 0.00Å | |
| C21 | C22 | doub | 1.34Å | 0.00Å | Aromatic |
| C21 | C47 | sing | 1.46Å | 0.00Å | Aromatic |
| C22 | N6 | sing | 1.33Å | 0.00Å | |
| C22 | C46 | sing | 1.44Å | 0.00Å | Aromatic |
| N6 | C23 | sing | 1.44Å | 0.00Å | |
| N6 | HN6 | sing | 1.02Å | 0.00Å | |
| C23 | C24 | sing | 1.52Å | 0.00Å | |
| C23 | H231 | sing | 1.09Å | 0.00Å | |
| C23 | H232 | sing | 1.09Å | 0.00Å | |
| C24 | N7 | sing | 1.44Å | 0.00Å | |
| C24 | H241 | sing | 1.09Å | 0.00Å | |
| C24 | H242 | sing | 1.10Å | 0.00Å | |
| N7 | C25 | sing | 1.38Å | 0.00Å | |
| N7 | HN7 | sing | 1.02Å | 0.00Å | |
| C25 | O7 | doub | 1.23Å | 0.00Å | |
| C25 | O8 | sing | 1.37Å | 0.00Å | |
| O8 | C26 | sing | 1.42Å | 0.00Å | |
| C26 | C27 | sing | 1.53Å | 0.00Å | |
| C26 | H261 | sing | 1.10Å | 0.00Å | |
| C26 | H262 | sing | 1.10Å | 0.00Å | |
| C27 | N8 | sing | 1.45Å | 0.00Å | |
| C27 | C28 | sing | 1.53Å | 0.00Å | |
| C27 | H27 | sing | 1.10Å | 0.00Å | |
| N8 | HN81 | sing | 1.00Å | 0.00Å | |
| N8 | HN82 | sing | 1.00Å | 0.00Å | |
| C28 | O9 | sing | 1.43Å | 0.00Å | |
| C28 | H281 | sing | 1.09Å | 0.00Å | |
| C28 | H282 | sing | 1.10Å | 0.00Å | |
| O9 | C29 | sing | 1.37Å | 0.00Å | |
| C29 | O10 | doub | 1.23Å | 0.00Å | |
| C29 | N9 | sing | 1.38Å | 0.00Å | |
| N9 | C30 | sing | 1.44Å | 0.00Å | |
| N9 | HN9 | sing | 1.02Å | 0.00Å | |
| C30 | C31 | sing | 1.52Å | 0.00Å | |
| C30 | H301 | sing | 1.09Å | 0.00Å | |
| C30 | H302 | sing | 1.09Å | 0.00Å | |
| C31 | N10 | sing | 1.47Å | 0.00Å | |
| C31 | H311 | sing | 1.09Å | 0.00Å | |
| C31 | H312 | sing | 1.10Å | 0.00Å | |
| N10 | C32 | sing | 1.31Å | 0.00Å | |
| N10 | H10 | sing | 1.02Å | 0.00Å | |
| C32 | C33 | doub | 1.34Å | 0.00Å | Aromatic |
| C32 | C45 | sing | 1.46Å | 0.00Å | Aromatic |
| C33 | N11 | sing | 1.33Å | 0.00Å | |
| C33 | C44 | sing | 1.44Å | 0.00Å | Aromatic |
| N11 | C34 | sing | 1.44Å | 0.00Å | |
| N11 | H11 | sing | 1.02Å | 0.00Å | |
| C34 | C35 | sing | 1.53Å | 0.00Å | |
| C34 | H341 | sing | 1.10Å | 0.00Å | |
| C34 | H342 | sing | 1.09Å | 0.00Å | |
| C35 | C36 | sing | 1.53Å | 0.00Å | |
| C35 | H351 | sing | 1.10Å | 0.00Å | |
| C35 | H352 | sing | 1.10Å | 0.00Å | |
| C36 | N12 | sing | 1.46Å | 0.00Å | |
| C36 | H361 | sing | 1.09Å | 0.00Å | |
| C36 | H362 | sing | 1.09Å | 0.00Å | |
| N12 | C37 | sing | 1.47Å | 0.00Å | |
| N12 | C40 | sing | 1.47Å | 0.00Å | |
| C37 | C38 | sing | 1.53Å | 0.00Å | |
| C37 | H371 | sing | 1.10Å | 0.00Å | |
| C37 | H372 | sing | 1.10Å | 0.00Å | |
| C38 | N13 | sing | 1.47Å | 0.00Å | |
| C38 | H381 | sing | 1.10Å | 0.00Å | |
| C38 | H382 | sing | 1.10Å | 0.00Å | |
| N13 | C39 | sing | 1.47Å | 0.00Å | |
| N13 | C41 | sing | 1.46Å | 0.00Å | |
| C39 | C40 | sing | 1.53Å | 0.00Å | |
| C39 | H391 | sing | 1.10Å | 0.00Å | |
| C39 | H392 | sing | 1.10Å | 0.00Å | |
| C40 | H401 | sing | 1.10Å | 0.00Å | |
| C40 | H402 | sing | 1.10Å | 0.00Å | |
| C41 | C42 | sing | 1.53Å | 0.00Å | |
| C41 | H411 | sing | 1.09Å | 0.00Å | |
| C41 | H412 | sing | 1.09Å | 0.00Å | |
| C42 | C43 | sing | 1.53Å | 0.00Å | |
| C42 | H421 | sing | 1.10Å | 0.00Å | |
| C42 | H422 | sing | 1.10Å | 0.00Å | |
| C43 | H431 | sing | 1.10Å | 0.00Å | |
| C43 | H432 | sing | 1.09Å | 0.00Å | |
| C44 | O11 | doub | 1.20Å | 0.00Å | |
| C44 | C45 | sing | 1.48Å | 0.00Å | Aromatic |
| C45 | O12 | doub | 1.20Å | 0.00Å | |
| C46 | O13 | doub | 1.20Å | 0.00Å | |
| C46 | C47 | sing | 1.48Å | 0.00Å | Aromatic |
| C47 | O14 | doub | 1.20Å | 0.00Å | |
| C48 | O15 | sing | 1.43Å | 0.00Å | |
| C48 | C49 | sing | 1.53Å | 0.00Å | |
| C48 | H48 | sing | 1.10Å | 0.00Å | |
| O15 | H15 | sing | 0.97Å | 0.00Å | |
| C49 | O16 | sing | 1.42Å | 0.00Å | |
| C49 | C50 | sing | 1.53Å | 0.00Å | |
| C49 | H49 | sing | 1.10Å | 0.00Å | |
| O16 | H16 | sing | 0.97Å | 0.00Å | |
| C50 | O17 | sing | 1.43Å | 0.00Å | |
| C50 | H50 | sing | 1.10Å | 0.00Å | |
| O17 | H17 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C60 | O24 | H24 | 109.5° | 106.6° |
| O24 | C60 | C59 | 110.4° | 110.3° |
| O24 | C60 | C61 | 109.8° | 109.3° |
| O24 | C60 | H60 | 109.2° | 107.1° |
| C59 | C60 | C61 | 111.3° | 110.6° |
| C59 | C60 | H60 | 107.7° | 109.5° |
| C60 | C59 | O23 | 110.4° | 109.2° |
| C60 | C59 | C58 | 109.4° | 110.2° |
| C60 | C59 | H59 | 108.6° | 110.2° |
| C61 | C60 | H60 | 108.3° | 109.9° |
| C60 | C61 | O25 | 110.4° | 110.5° |
| C60 | C61 | O19 | 108.0° | 110.2° |
| C60 | C61 | H61 | 110.1° | 109.8° |
| O23 | C59 | C58 | 108.4° | 110.0° |
| O23 | C59 | H59 | 109.6° | 106.8° |
| C59 | O23 | H23 | 109.5° | 106.6° |
| C58 | C59 | H59 | 110.5° | 110.4° |
| C59 | C58 | O22 | 109.6° | 109.5° |
| C59 | C58 | C62 | 109.4° | 110.3° |
| C59 | C58 | H58 | 110.0° | 110.3° |
| O22 | C58 | C62 | 111.0° | 108.8° |
| O22 | C58 | H58 | 108.4° | 106.7° |
| C58 | O22 | H22 | 109.5° | 106.3° |
| C62 | C58 | H58 | 108.5° | 111.1° |
| C58 | C62 | C63 | 110.4° | 112.4° |
| C58 | C62 | O25 | 112.6° | 110.7° |
| C58 | C62 | H62 | 106.8° | 109.9° |
| C63 | C62 | O25 | 109.6° | 107.3° |
| C63 | C62 | H62 | 109.9° | 107.7° |
| C62 | C63 | O26 | 108.4° | 108.6° |
| C62 | C63 | H631 | 109.8° | 109.9° |
| C62 | C63 | H632 | 110.1° | 110.0° |
| O25 | C62 | H62 | 107.5° | 108.7° |
| C62 | O25 | C61 | 112.6° | 113.6° |
| O26 | C63 | H631 | 109.8° | 109.3° |
| O26 | C63 | H632 | 110.1° | 109.3° |
| C63 | O26 | H26 | 109.5° | 107.1° |
| H631 | C63 | H632 | 108.6° | 109.7° |
| O25 | C61 | O19 | 110.1° | 111.9° |
| O25 | C61 | H61 | 107.9° | 107.9° |
| O19 | C61 | H61 | 110.3° | 106.5° |
| C61 | O19 | C56 | 114.2° | 116.6° |
| O19 | C56 | C57 | 121.0° | 119.8° |
| O19 | C56 | C55 | 120.1° | 119.8° |
| C57 | C56 | C55 | 118.9° | 120.5° |
| C56 | C57 | C52 | 120.1° | 119.8° |
| C56 | C57 | H57 | 119.9° | 120.0° |
| C56 | C55 | C54 | 121.1° | 119.8° |
| C56 | C55 | H55 | 119.4° | 119.8° |
| C52 | C57 | H57 | 119.9° | 120.2° |
| C57 | C52 | C53 | 120.9° | 120.0° |
| C57 | C52 | C51 | 117.1° | 120.0° |
| C54 | C55 | H55 | 119.5° | 120.4° |
| C55 | C54 | N15 | 119.0° | 120.0° |
| C55 | C54 | C53 | 119.4° | 120.0° |
| N15 | C54 | C53 | 121.6° | 120.0° |
| C54 | N15 | O21 | 119.2° | 119.0° |
| C54 | N15 | O20 | 119.7° | 118.9° |
| C54 | C53 | C52 | 119.6° | 120.0° |
| C54 | C53 | H53 | 120.2° | 120.2° |
| O21 | N15 | O20 | 121.0° | 122.1° |
| C52 | C53 | H53 | 120.2° | 119.8° |
| C53 | C52 | C51 | 122.0° | 120.0° |
| C52 | C51 | O18 | 119.6° | 120.5° |
| C52 | C51 | N14 | 116.1° | 117.0° |
| O18 | C51 | N14 | 124.3° | 122.5° |
| C51 | N14 | C43 | 111.3° | 123.6° |
| C51 | N14 | H14 | 124.4° | 119.3° |
| C43 | N14 | H14 | 124.3° | 117.0° |
| N14 | C43 | C42 | 90.0° | 112.6° |
| N14 | C43 | H431 | 90.0° | 106.9° |
| N14 | C43 | H432 | 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° | 110.0° |
| C2 | C1 | H12 | 90.0° | 110.1° |
| C1 | C2 | O2 | 90.0° | 107.3° |
| C1 | C2 | C50 | 90.0° | 113.0° |
| C1 | C2 | H2 | 90.0° | 108.1° |
| H11A | C1 | H12 | 90.0° | 109.6° |
| O2 | C2 | C50 | 90.0° | 110.6° |
| O2 | C2 | H2 | 90.0° | 108.3° |
| C2 | O2 | C3 | 90.0° | 112.9° |
| C50 | C2 | H2 | 90.0° | 109.4° |
| C2 | C50 | C49 | 90.0° | 109.8° |
| C2 | C50 | O17 | 90.0° | 110.4° |
| C2 | C50 | H50 | 90.0° | 111.0° |
| O2 | C3 | O3 | 90.0° | 110.7° |
| O2 | C3 | C48 | 90.0° | 111.1° |
| O2 | C3 | H3 | 90.0° | 108.9° |
| O3 | C3 | C48 | 90.0° | 108.7° |
| O3 | C3 | H3 | 90.0° | 107.6° |
| C3 | O3 | C4 | 90.0° | 117.1° |
| C48 | C3 | H3 | 90.0° | 109.9° |
| C3 | C48 | O15 | 90.0° | 109.4° |
| C3 | C48 | C49 | 90.0° | 109.6° |
| C3 | C48 | H48 | 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° | 118.8° |
| C4 | C5 | H5 | 90.0° | 119.8° |
| 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° | 121.1° |
| C6 | C10 | O6 | 90.0° | 119.3° |
| C6 | C10 | N2 | 90.0° | 116.1° |
| C8 | C7 | H7 | 90.0° | 120.1° |
| 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° | 117.4° |
| N2 | C11 | C12 | 90.0° | 112.6° |
| N2 | C11 | H111 | 90.0° | 106.9° |
| N2 | C11 | H112 | 90.0° | 107.7° |
| C12 | C11 | H111 | 90.0° | 109.9° |
| C12 | C11 | H112 | 90.0° | 111.5° |
| C11 | C12 | C13 | 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° |
| C13 | C12 | H121 | 90.0° | 108.6° |
| C13 | C12 | H122 | 90.0° | 109.3° |
| C12 | C13 | N3 | 90.0° | 112.5° |
| C12 | C13 | H131 | 90.0° | 111.5° |
| C12 | C13 | H132 | 90.0° | 109.9° |
| H121 | C12 | H122 | 90.0° | 107.1° |
| N3 | C13 | H131 | 90.0° | 107.8° |
| N3 | C13 | H132 | 90.0° | 106.9° |
| C13 | N3 | C14 | 90.0° | 110.8° |
| C13 | N3 | C17 | 90.0° | 110.8° |
| H131 | C13 | H132 | 90.0° | 108.0° |
| C14 | N3 | C17 | 90.0° | 110.4° |
| N3 | C14 | C15 | 90.0° | 110.8° |
| N3 | C14 | H141 | 90.0° | 110.7° |
| N3 | C14 | H142 | 90.0° | 109.5° |
| N3 | C17 | C16 | 90.0° | 110.8° |
| N3 | C17 | H171 | 90.0° | 109.6° |
| N3 | C17 | H172 | 90.0° | 110.8° |
| C15 | C14 | H141 | 90.0° | 109.8° |
| C15 | C14 | H142 | 90.0° | 108.5° |
| C14 | C15 | N4 | 90.0° | 110.9° |
| C14 | C15 | H151 | 90.0° | 109.7° |
| C14 | C15 | H152 | 90.0° | 108.5° |
| H141 | C14 | H142 | 90.0° | 107.4° |
| N4 | C15 | H151 | 90.0° | 110.8° |
| N4 | C15 | H152 | 90.0° | 109.6° |
| C15 | N4 | C16 | 90.0° | 110.5° |
| C15 | N4 | C18 | 90.0° | 110.8° |
| H151 | C15 | H152 | 90.0° | 107.3° |
| C16 | N4 | C18 | 90.0° | 110.8° |
| N4 | C16 | C17 | 90.0° | 110.8° |
| N4 | C16 | H161 | 90.0° | 109.5° |
| N4 | C16 | H162 | 90.0° | 110.8° |
| N4 | C18 | C19 | 90.0° | 112.6° |
| N4 | C18 | H181 | 90.0° | 107.9° |
| N4 | C18 | H182 | 90.0° | 106.9° |
| C17 | C16 | H161 | 90.0° | 108.5° |
| C17 | C16 | H162 | 90.0° | 109.8° |
| C16 | C17 | H171 | 90.0° | 108.5° |
| C16 | C17 | H172 | 90.0° | 109.8° |
| H161 | C16 | H162 | 90.0° | 107.4° |
| H171 | C17 | H172 | 90.0° | 107.3° |
| C19 | C18 | H181 | 90.0° | 111.4° |
| C19 | C18 | H182 | 90.0° | 109.8° |
| C18 | C19 | C20 | 90.0° | 113.8° |
| C18 | C19 | H191 | 90.0° | 108.6° |
| C18 | C19 | H192 | 90.0° | 109.3° |
| H181 | C18 | H182 | 90.0° | 108.0° |
| C20 | C19 | H191 | 90.0° | 109.3° |
| C20 | C19 | H192 | 90.0° | 108.6° |
| C19 | C20 | N5 | 90.0° | 112.5° |
| C19 | C20 | H201 | 90.0° | 109.9° |
| C19 | C20 | H202 | 90.0° | 111.5° |
| H191 | C19 | H192 | 90.0° | 107.0° |
| N5 | C20 | H201 | 90.0° | 106.8° |
| N5 | C20 | H202 | 90.0° | 107.8° |
| C20 | N5 | C21 | 90.0° | 122.6° |
| C20 | N5 | HN5 | 90.0° | 117.6° |
| H201 | C20 | H202 | 90.0° | 108.0° |
| C21 | N5 | HN5 | 90.0° | 119.8° |
| N5 | C21 | C22 | 90.0° | 140.8° |
| N5 | C21 | C47 | 90.0° | 127.6° |
| C22 | C21 | C47 | 90.0° | 91.6° |
| C21 | C22 | N6 | 90.0° | 139.3° |
| C21 | C22 | C46 | 90.0° | 93.9° |
| C21 | C47 | C46 | 90.0° | 87.6° |
| C21 | C47 | O14 | 90.0° | 141.5° |
| N6 | C22 | C46 | 90.0° | 126.8° |
| C22 | N6 | C23 | 90.0° | 122.9° |
| C22 | N6 | HN6 | 90.0° | 117.3° |
| C22 | C46 | O13 | 90.0° | 142.3° |
| C22 | C46 | C47 | 90.0° | 86.8° |
| C23 | N6 | HN6 | 90.0° | 119.9° |
| N6 | C23 | C24 | 90.0° | 112.1° |
| N6 | C23 | H231 | 90.0° | 107.4° |
| N6 | C23 | H232 | 90.0° | 107.0° |
| C24 | C23 | H231 | 90.0° | 111.4° |
| C24 | C23 | H232 | 90.0° | 110.1° |
| C23 | C24 | N7 | 90.0° | 112.0° |
| C23 | C24 | H241 | 90.0° | 110.2° |
| C23 | C24 | H242 | 90.0° | 111.4° |
| H231 | C23 | H232 | 90.0° | 108.6° |
| N7 | C24 | H241 | 90.0° | 107.1° |
| N7 | C24 | H242 | 90.0° | 107.5° |
| C24 | N7 | C25 | 90.0° | 123.8° |
| C24 | N7 | HN7 | 90.0° | 118.1° |
| H241 | C24 | H242 | 90.0° | 108.4° |
| C25 | N7 | HN7 | 90.0° | 118.1° |
| N7 | C25 | O7 | 90.0° | 125.7° |
| N7 | C25 | O8 | 90.0° | 110.1° |
| O7 | C25 | O8 | 90.0° | 124.3° |
| C25 | O8 | C26 | 90.0° | 116.2° |
| O8 | C26 | C27 | 90.0° | 109.4° |
| O8 | C26 | H261 | 90.0° | 108.5° |
| O8 | C26 | H262 | 90.0° | 107.7° |
| C27 | C26 | H261 | 90.0° | 111.5° |
| C27 | C26 | H262 | 90.0° | 110.7° |
| C26 | C27 | N8 | 90.0° | 110.3° |
| C26 | C27 | C28 | 90.0° | 111.0° |
| C26 | C27 | H27 | 90.0° | 110.0° |
| H261 | C26 | H262 | 90.0° | 108.8° |
| N8 | C27 | C28 | 90.0° | 110.0° |
| N8 | C27 | H27 | 90.0° | 105.3° |
| C27 | N8 | HN81 | 90.0° | 118.6° |
| C27 | N8 | HN82 | 90.0° | 118.6° |
| C28 | C27 | H27 | 90.0° | 110.1° |
| C27 | C28 | O9 | 90.0° | 109.4° |
| C27 | C28 | H281 | 90.0° | 110.8° |
| C27 | C28 | H282 | 90.0° | 111.5° |
| HN81 | N8 | HN82 | 90.0° | 121.3° |
| O9 | C28 | H281 | 90.0° | 107.7° |
| O9 | C28 | H282 | 90.0° | 108.5° |
| C28 | O9 | C29 | 90.0° | 115.8° |
| H281 | C28 | H282 | 90.0° | 108.9° |
| O9 | C29 | O10 | 90.0° | 124.6° |
| O9 | C29 | N9 | 90.0° | 109.9° |
| O10 | C29 | N9 | 90.0° | 125.5° |
| C29 | N9 | C30 | 90.0° | 123.9° |
| C29 | N9 | HN9 | 90.0° | 118.0° |
| C30 | N9 | HN9 | 90.0° | 118.0° |
| N9 | C30 | C31 | 90.0° | 112.0° |
| N9 | C30 | H301 | 90.0° | 107.1° |
| N9 | C30 | H302 | 90.0° | 107.5° |
| C31 | C30 | H301 | 90.0° | 110.2° |
| C31 | C30 | H302 | 90.0° | 111.4° |
| C30 | C31 | N10 | 90.0° | 112.2° |
| C30 | C31 | H311 | 90.0° | 111.4° |
| C30 | C31 | H312 | 90.0° | 110.1° |
| H301 | C30 | H302 | 90.0° | 108.5° |
| N10 | C31 | H311 | 90.0° | 107.4° |
| N10 | C31 | H312 | 90.0° | 107.0° |
| C31 | N10 | C32 | 90.0° | 122.6° |
| C31 | N10 | H10 | 90.0° | 117.5° |
| H311 | C31 | H312 | 90.0° | 108.6° |
| C32 | N10 | H10 | 90.0° | 119.8° |
| N10 | C32 | C33 | 90.0° | 140.8° |
| N10 | C32 | C45 | 90.0° | 127.6° |
| C33 | C32 | C45 | 90.0° | 91.6° |
| C32 | C33 | N11 | 90.0° | 139.3° |
| C32 | C33 | C44 | 90.0° | 93.9° |
| C32 | C45 | C44 | 90.0° | 87.7° |
| C32 | C45 | O12 | 90.0° | 141.5° |
| N11 | C33 | C44 | 90.0° | 126.7° |
| C33 | N11 | C34 | 90.0° | 122.9° |
| C33 | N11 | H11 | 90.0° | 117.2° |
| C33 | C44 | O11 | 90.0° | 142.3° |
| C33 | C44 | C45 | 90.0° | 86.8° |
| C34 | N11 | H11 | 90.0° | 119.9° |
| N11 | C34 | C35 | 90.0° | 112.6° |
| N11 | C34 | H341 | 90.0° | 106.8° |
| N11 | C34 | H342 | 90.0° | 107.8° |
| C35 | C34 | H341 | 90.0° | 109.9° |
| C35 | C34 | H342 | 90.0° | 111.5° |
| C34 | C35 | C36 | 90.0° | 113.8° |
| C34 | C35 | H351 | 90.0° | 109.3° |
| C34 | C35 | H352 | 90.0° | 108.6° |
| H341 | C34 | H342 | 90.0° | 108.0° |
| C36 | C35 | H351 | 90.0° | 108.6° |
| C36 | C35 | H352 | 90.0° | 109.3° |
| C35 | C36 | N12 | 90.0° | 112.6° |
| C35 | C36 | H361 | 90.0° | 111.5° |
| C35 | C36 | H362 | 90.0° | 109.9° |
| H351 | C35 | H352 | 90.0° | 107.1° |
| N12 | C36 | H361 | 90.0° | 107.8° |
| N12 | C36 | H362 | 90.0° | 106.9° |
| C36 | N12 | C37 | 90.0° | 110.8° |
| C36 | N12 | C40 | 90.0° | 110.8° |
| H361 | C36 | H362 | 90.0° | 108.0° |
| C37 | N12 | C40 | 90.0° | 110.5° |
| N12 | C37 | C38 | 90.0° | 110.9° |
| N12 | C37 | H371 | 90.0° | 110.8° |
| N12 | C37 | H372 | 90.0° | 109.6° |
| N12 | C40 | C39 | 90.0° | 110.9° |
| N12 | C40 | H401 | 90.0° | 109.6° |
| N12 | C40 | H402 | 90.0° | 110.7° |
| C38 | C37 | H371 | 90.0° | 109.7° |
| C38 | C37 | H372 | 90.0° | 108.5° |
| C37 | C38 | N13 | 90.0° | 110.8° |
| C37 | C38 | H381 | 90.0° | 109.8° |
| C37 | C38 | H382 | 90.0° | 108.5° |
| H371 | C37 | H372 | 90.0° | 107.3° |
| N13 | C38 | H381 | 90.0° | 110.7° |
| N13 | C38 | H382 | 90.0° | 109.5° |
| C38 | N13 | C39 | 90.0° | 110.4° |
| C38 | N13 | C41 | 90.0° | 110.8° |
| H381 | C38 | H382 | 90.0° | 107.3° |
| C39 | N13 | C41 | 90.0° | 110.8° |
| N13 | C39 | C40 | 90.0° | 110.8° |
| N13 | C39 | H391 | 90.0° | 109.5° |
| N13 | C39 | H392 | 90.0° | 110.8° |
| N13 | C41 | C42 | 90.0° | 112.6° |
| N13 | C41 | H411 | 90.0° | 107.8° |
| N13 | C41 | H412 | 90.0° | 106.8° |
| C40 | C39 | H391 | 90.0° | 108.5° |
| C40 | C39 | H392 | 90.0° | 109.8° |
| C39 | C40 | H401 | 90.0° | 108.5° |
| C39 | C40 | H402 | 90.0° | 109.8° |
| H391 | C39 | H392 | 90.0° | 107.4° |
| H401 | C40 | H402 | 90.0° | 107.3° |
| C42 | C41 | H411 | 90.0° | 111.5° |
| C42 | C41 | H412 | 90.0° | 109.9° |
| C41 | C42 | C43 | 90.0° | 113.8° |
| C41 | C42 | H421 | 90.0° | 108.6° |
| C41 | C42 | H422 | 90.0° | 109.3° |
| H411 | C41 | H412 | 90.0° | 108.0° |
| C43 | C42 | H421 | 90.0° | 109.3° |
| C43 | C42 | H422 | 90.0° | 108.6° |
| C42 | C43 | H431 | 90.0° | 109.8° |
| C42 | C43 | H432 | 90.0° | 111.5° |
| H421 | C42 | H422 | 90.0° | 107.1° |
| H431 | C43 | H432 | 90.0° | 108.0° |
| O11 | C44 | C45 | 90.0° | 130.9° |
| C44 | C45 | O12 | 90.0° | 130.9° |
| O13 | C46 | C47 | 90.0° | 130.9° |
| C46 | C47 | O14 | 90.0° | 130.9° |
| O15 | C48 | C49 | 90.0° | 110.5° |
| O15 | C48 | H48 | 90.0° | 105.8° |
| C48 | O15 | H15 | 90.0° | 106.3° |
| C49 | C48 | H48 | 90.0° | 110.7° |
| C48 | C49 | O16 | 90.0° | 110.9° |
| C48 | C49 | C50 | 90.0° | 111.7° |
| C48 | C49 | H49 | 90.0° | 108.7° |
| O16 | C49 | C50 | 90.0° | 110.0° |
| O16 | C49 | H49 | 90.0° | 107.2° |
| C49 | O16 | H16 | 90.0° | 106.8° |
| C50 | C49 | H49 | 90.0° | 108.2° |
| C49 | C50 | O17 | 90.0° | 109.3° |
| C49 | C50 | H50 | 90.0° | 109.5° |
| O17 | C50 | H50 | 90.0° | 106.8° |
| C50 | O17 | H17 | 90.0° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C60 | C59 | C61 | 122.3° | 121.0° |
| O24 | C60 | C59 | H60 | 119.2° | 117.6° |
| O24 | C60 | C61 | H60 | 119.2° | 117.3° |
| O24 | C60 | C59 | O23 | 64.4° | 64.8° |
| O24 | C60 | C59 | C58 | 176.4° | 174.2° |
| O24 | C60 | C59 | H59 | 55.7° | 52.2° |
| O24 | C60 | C61 | O25 | 179.2° | 177.3° |
| O24 | C60 | C61 | O19 | 58.7° | 53.2° |
| O24 | C60 | C61 | H61 | 61.8° | 63.8° |
| H24 | O24 | C60 | C59 | 146.0° | 150.6° |
| H24 | O24 | C60 | C61 | 22.8° | 28.8° |
| H24 | O24 | C60 | H60 | 95.8° | 90.3° |
| C59 | C60 | C61 | H60 | 118.2° | 121.0° |
| C60 | C59 | O23 | C58 | 119.8° | 121.1° |
| C60 | C59 | O23 | H59 | 119.5° | 119.1° |
| C60 | C59 | C58 | H59 | 119.5° | 121.9° |
| C60 | C59 | O23 | H23 | 21.8° | 29.8° |
| C60 | C59 | C58 | O22 | 69.4° | 66.9° |
| C60 | C59 | C58 | C62 | 52.5° | 52.8° |
| C60 | C59 | C58 | H58 | 171.6° | 175.9° |
| C59 | C60 | C61 | O25 | 56.6° | 55.7° |
| C59 | C60 | C61 | O19 | 63.9° | 68.4° |
| C59 | C60 | C61 | H61 | 175.6° | 174.6° |
| C61 | C60 | C59 | O23 | 173.3° | 174.1° |
| C61 | C60 | C59 | C58 | 54.1° | 53.2° |
| C61 | C60 | C59 | H59 | 66.6° | 68.9° |
| C60 | C61 | O25 | C62 | 58.8° | 59.7° |
| C60 | C61 | O25 | O19 | 119.2° | 123.1° |
| C60 | C61 | O25 | H61 | 120.3° | 120.0° |
| C60 | C61 | O19 | H61 | 120.3° | 119.0° |
| C60 | C61 | O19 | C56 | 172.6° | 149.0° |
| H60 | C60 | C59 | O23 | 54.7° | 52.8° |
| H60 | C60 | C59 | C58 | 64.4° | 68.2° |
| H60 | C60 | C59 | H59 | 174.9° | 169.8° |
| H60 | C60 | C61 | O25 | 61.6° | 65.4° |
| H60 | C60 | C61 | O19 | 177.9° | 170.5° |
| H60 | C60 | C61 | H61 | 57.4° | 53.5° |
| O23 | C59 | C58 | H59 | 120.1° | 117.6° |
| O23 | C59 | C58 | O22 | 51.0° | 53.5° |
| O23 | C59 | C58 | C62 | 172.9° | 173.3° |
| O23 | C59 | C58 | H58 | 68.0° | 63.6° |
| C58 | C59 | O23 | H23 | 141.7° | 150.9° |
| C59 | C58 | O22 | C62 | 120.9° | 120.6° |
| C59 | C58 | O22 | H58 | 120.0° | 119.4° |
| C59 | C58 | C62 | H58 | 120.0° | 122.7° |
| C59 | C58 | O22 | H22 | 72.4° | 40.1° |
| C59 | C58 | C62 | C63 | 178.5° | 175.1° |
| C59 | C58 | C62 | O25 | 55.6° | 55.2° |
| C59 | C58 | C62 | H62 | 62.1° | 64.9° |
| H59 | C59 | O23 | H23 | 97.7° | 89.3° |
| H59 | C59 | C58 | O22 | 171.1° | 171.2° |
| H59 | C59 | C58 | C62 | 67.0° | 69.1° |
| H59 | C59 | C58 | H58 | 52.1° | 54.0° |
| O22 | C58 | C62 | H58 | 119.0° | 117.2° |
| O22 | C58 | C62 | C63 | 57.5° | 55.0° |
| O22 | C58 | C62 | O25 | 65.4° | 65.0° |
| O22 | C58 | C62 | H62 | 176.9° | 175.0° |
| C62 | C58 | O22 | H22 | 48.5° | 80.6° |
| C58 | C62 | C63 | O25 | 124.6° | 121.9° |
| C58 | C62 | C63 | H62 | 117.5° | 121.2° |
| C58 | C62 | O25 | H62 | 117.3° | 120.8° |
| C58 | C62 | C63 | O26 | 174.4° | 179.5° |
| C58 | C62 | C63 | H631 | 54.4° | 60.1° |
| C58 | C62 | C63 | H632 | 65.1° | 60.9° |
| C58 | C62 | O25 | C61 | 59.5° | 59.7° |
| H58 | C58 | O22 | H22 | 167.6° | 159.5° |
| H58 | C58 | C62 | C63 | 61.5° | 62.2° |
| H58 | C58 | C62 | O25 | 175.6° | 177.8° |
| H58 | C58 | C62 | H62 | 57.9° | 57.7° |
| C63 | C62 | O25 | H62 | 119.4° | 116.2° |
| C62 | C63 | O26 | H631 | 120.0° | 119.9° |
| C62 | C63 | O26 | H632 | 120.4° | 120.0° |
| C62 | C63 | H631 | H632 | 120.4° | 121.1° |
| C62 | C63 | O26 | H26 | 140.9° | 13.4° |
| C63 | C62 | O25 | C61 | 177.2° | 177.3° |
| O25 | C62 | C63 | O26 | 61.0° | 57.6° |
| O25 | C62 | C63 | H631 | 179.0° | 61.9° |
| O25 | C62 | C63 | H632 | 59.5° | 177.2° |
| C62 | O25 | C61 | O19 | 60.4° | 63.4° |
| C62 | O25 | C61 | H61 | 179.2° | 179.8° |
| H62 | C62 | C63 | O26 | 57.0° | 59.2° |
| H62 | C62 | C63 | H631 | 63.0° | 178.7° |
| H62 | C62 | C63 | H632 | 177.4° | 60.3° |
| H62 | C62 | O25 | C61 | 57.8° | 61.1° |
| O26 | C63 | H631 | H632 | 120.4° | 119.8° |
| H631 | C63 | O26 | H26 | 20.9° | 106.5° |
| H632 | C63 | O26 | H26 | 98.6° | 133.4° |
| O25 | C61 | O19 | H61 | 119.0° | 117.7° |
| O25 | C61 | O19 | C56 | 66.8° | 87.7° |
| C61 | O19 | C56 | C57 | 83.7° | 60.0° |
| C61 | O19 | C56 | C55 | 98.0° | 120.0° |
| H61 | C61 | O19 | C56 | 52.3° | 30.0° |
| O19 | C56 | C57 | C55 | 178.4° | 180.0° |
| O19 | C56 | C57 | C52 | 179.0° | 180.0° |
| O19 | C56 | C57 | H57 | 1.0° | 0.0° |
| O19 | C56 | C55 | C54 | 178.4° | 180.0° |
| O19 | C56 | C55 | H55 | 1.6° | 0.0° |
| C56 | C57 | C52 | H57 | 180.0° | 180.0° |
| C57 | C56 | C55 | C54 | 0.0° | 0.0° |
| C57 | C56 | C55 | H55 | 180.0° | 180.0° |
| C56 | C57 | C52 | C53 | 0.6° | 0.0° |
| C56 | C57 | C52 | C51 | 178.6° | 179.9° |
| C55 | C56 | C57 | C52 | 0.6° | 0.0° |
| C55 | C56 | C57 | H57 | 179.4° | 180.0° |
| C56 | C55 | C54 | H55 | 180.0° | 179.9° |
| C56 | C55 | C54 | N15 | 178.3° | 180.0° |
| C56 | C55 | C54 | C53 | 0.6° | 0.0° |
| C57 | C52 | C53 | C54 | 0.1° | 0.1° |
| C57 | C52 | C53 | C51 | 179.1° | 179.9° |
| C57 | C52 | C53 | H53 | 179.9° | 180.0° |
| C57 | C52 | C51 | O18 | 1.3° | 25.9° |
| C57 | C52 | C51 | N14 | 176.9° | 153.0° |
| H57 | C57 | C52 | C53 | 179.4° | 180.0° |
| H57 | C57 | C52 | C51 | 1.4° | 0.1° |
| C55 | C54 | N15 | C53 | 177.6° | 180.0° |
| C55 | C54 | N15 | O21 | 2.0° | 180.0° |
| C55 | C54 | N15 | O20 | 178.7° | 0.0° |
| C55 | C54 | C53 | C52 | 0.7° | 0.0° |
| C55 | C54 | C53 | H53 | 179.3° | 180.0° |
| H55 | C55 | C54 | N15 | 1.6° | 0.1° |
| H55 | C55 | C54 | C53 | 179.3° | 180.0° |
| C54 | N15 | O21 | O20 | 176.6° | 179.9° |
| N15 | C54 | C53 | C52 | 178.3° | 180.0° |
| N15 | C54 | C53 | H53 | 1.7° | 0.0° |
| C53 | C54 | N15 | O21 | 175.6° | 0.0° |
| C53 | C54 | N15 | O20 | 1.1° | 180.0° |
| C54 | C53 | C52 | H53 | 180.0° | 179.9° |
| C54 | C53 | C52 | C51 | 179.2° | 179.9° |
| C53 | C52 | C51 | O18 | 179.5° | 154.2° |
| C53 | C52 | C51 | N14 | 2.3° | 26.9° |
| H53 | C53 | C52 | C51 | 0.8° | 0.1° |
| C52 | C51 | O18 | N14 | 178.0° | 178.9° |
| C52 | C51 | N14 | C43 | 47.7° | 178.9° |
| C52 | C51 | N14 | H14 | 132.3° | 3.0° |
| O18 | C51 | N14 | C43 | 130.4° | 0.0° |
| O18 | C51 | N14 | H14 | 49.6° | 175.9° |
| C51 | N14 | C43 | H14 | 180.0° | 176.0° |
| C51 | N14 | C43 | C42 | 90.0° | 90.0° |
| C51 | N14 | C43 | H431 | 90.0° | 149.3° |
| C51 | N14 | C43 | H432 | 90.0° | 33.4° |
| N14 | C43 | C42 | C41 | 90.0° | 61.0° |
| N14 | C43 | C42 | H431 | 90.0° | 119.0° |
| N14 | C43 | C42 | H432 | 90.0° | 121.3° |
| N14 | C43 | C42 | H421 | 90.0° | 60.5° |
| N14 | C43 | C42 | H422 | 90.0° | 177.0° |
| N14 | C43 | H431 | H432 | 90.0° | 115.8° |
| H14 | N14 | C43 | C42 | 90.0° | 86.0° |
| H14 | N14 | C43 | H431 | 90.0° | 34.7° |
| H14 | N14 | C43 | H432 | 90.0° | 150.6° |
| O1 | C1 | C2 | H11A | 90.0° | 119.5° |
| O1 | C1 | C2 | H12 | 90.0° | 119.6° |
| O1 | C1 | H11A | H12 | 90.0° | 119.6° |
| O1 | C1 | C2 | O2 | 90.0° | 58.3° |
| O1 | C1 | C2 | C50 | 90.0° | 179.5° |
| O1 | C1 | C2 | H2 | 90.0° | 58.2° |
| HO1 | O1 | C1 | C2 | 90.0° | 170.9° |
| HO1 | O1 | C1 | H11A | 90.0° | 69.1° |
| HO1 | O1 | C1 | H12 | 90.0° | 50.8° |
| C2 | C1 | H11A | H12 | 90.0° | 121.2° |
| C1 | C2 | O2 | C50 | 90.0° | 123.7° |
| C1 | C2 | O2 | H2 | 90.0° | 116.4° |
| C1 | C2 | C50 | H2 | 90.0° | 120.5° |
| C1 | C2 | O2 | C3 | 90.0° | 175.4° |
| C1 | C2 | C50 | C49 | 90.0° | 175.3° |
| C1 | C2 | C50 | O17 | 90.0° | 54.8° |
| C1 | C2 | C50 | H50 | 90.0° | 63.5° |
| H11A | C1 | C2 | O2 | 90.0° | 177.8° |
| H11A | C1 | C2 | C50 | 90.0° | 60.0° |
| H11A | C1 | C2 | H2 | 90.0° | 61.3° |
| H12 | C1 | C2 | O2 | 90.0° | 61.3° |
| H12 | C1 | C2 | C50 | 90.0° | 60.9° |
| H12 | C1 | C2 | H2 | 90.0° | 177.8° |
| O2 | C2 | C50 | H2 | 90.0° | 119.2° |
| C2 | O2 | C3 | O3 | 90.0° | 177.8° |
| C2 | O2 | C3 | C48 | 90.0° | 61.4° |
| C2 | O2 | C3 | H3 | 90.0° | 59.7° |
| O2 | C2 | C50 | C49 | 90.0° | 55.0° |
| O2 | C2 | C50 | O17 | 90.0° | 65.5° |
| O2 | C2 | C50 | H50 | 90.0° | 176.2° |
| C50 | C2 | O2 | C3 | 90.0° | 61.0° |
| C2 | C50 | C49 | C48 | 90.0° | 51.8° |
| C2 | C50 | C49 | O16 | 90.0° | 175.5° |
| C2 | C50 | C49 | O17 | 90.0° | 121.2° |
| C2 | C50 | C49 | H50 | 90.0° | 122.1° |
| C2 | C50 | C49 | H49 | 90.0° | 67.7° |
| C2 | C50 | O17 | H50 | 90.0° | 120.8° |
| C2 | C50 | O17 | H17 | 90.0° | 89.0° |
| H2 | C2 | O2 | C3 | 90.0° | 58.9° |
| H2 | C2 | C50 | C49 | 90.0° | 64.2° |
| H2 | C2 | C50 | O17 | 90.0° | 175.3° |
| H2 | C2 | C50 | H50 | 90.0° | 57.0° |
| O2 | C3 | O3 | C48 | 90.0° | 122.3° |
| O2 | C3 | O3 | H3 | 90.0° | 118.8° |
| O2 | C3 | C48 | H3 | 90.0° | 120.5° |
| O2 | C3 | O3 | C4 | 90.0° | 58.8° |
| O2 | C3 | C48 | O15 | 90.0° | 65.9° |
| O2 | C3 | C48 | C49 | 90.0° | 55.4° |
| O2 | C3 | C48 | H48 | 90.0° | 177.8° |
| O3 | C3 | C48 | H3 | 90.0° | 117.5° |
| C3 | O3 | C4 | C5 | 90.0° | 60.0° |
| C3 | O3 | C4 | C9 | 90.0° | 119.9° |
| O3 | C3 | C48 | O15 | 90.0° | 56.2° |
| O3 | C3 | C48 | C49 | 90.0° | 177.4° |
| O3 | C3 | C48 | H48 | 90.0° | 60.1° |
| C48 | C3 | O3 | C4 | 90.0° | 178.9° |
| C3 | C48 | O15 | C49 | 90.0° | 120.7° |
| C3 | C48 | O15 | H48 | 90.0° | 119.4° |
| C3 | C48 | C49 | H48 | 90.0° | 122.5° |
| C3 | C48 | O15 | H15 | 90.0° | 86.5° |
| C3 | C48 | C49 | O16 | 90.0° | 175.0° |
| C3 | C48 | C49 | C50 | 90.0° | 51.9° |
| C3 | C48 | C49 | H49 | 90.0° | 67.4° |
| H3 | C3 | O3 | C4 | 90.0° | 60.0° |
| H3 | C3 | C48 | O15 | 90.0° | 173.6° |
| H3 | C3 | C48 | C49 | 90.0° | 65.1° |
| H3 | C3 | C48 | H48 | 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° | 0.1° |
| O3 | C4 | C9 | C8 | 90.0° | 180.0° |
| O3 | C4 | C9 | H9 | 90.0° | 0.0° |
| C4 | C5 | C6 | H5 | 90.0° | 180.0° |
| C4 | C5 | C6 | C7 | 90.0° | 0.0° |
| C4 | C5 | C6 | C10 | 90.0° | 179.9° |
| 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° | 0.0° |
| 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° | 0.0° |
| 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° | 179.9° |
| 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° | 180.0° |
| C7 | C8 | C9 | H9 | 90.0° | 180.0° |
| C7 | C8 | N1 | O4 | 90.0° | 0.0° |
| C7 | C8 | N1 | O5 | 90.0° | 180.0° |
| 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° | 0.1° |
| O6 | C10 | N2 | HN2 | 90.0° | 175.9° |
| C10 | N2 | C11 | HN2 | 90.0° | 175.9° |
| 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° | 119.0° |
| N2 | C11 | C12 | H112 | 90.0° | 121.3° |
| N2 | C11 | H111 | H112 | 90.0° | 115.7° |
| N2 | C11 | C12 | C13 | 90.0° | 59.0° |
| N2 | C11 | C12 | H121 | 90.0° | 179.4° |
| N2 | C11 | C12 | H122 | 90.0° | 62.9° |
| HN2 | N2 | C11 | C12 | 90.0° | 86.0° |
| HN2 | N2 | C11 | H111 | 90.0° | 34.8° |
| HN2 | N2 | C11 | H112 | 90.0° | 150.7° |
| C12 | C11 | H111 | H112 | 90.0° | 121.8° |
| C11 | C12 | C13 | H121 | 90.0° | 122.0° |
| C11 | C12 | C13 | H122 | 90.0° | 121.5° |
| C11 | C12 | H121 | H122 | 90.0° | 117.4° |
| C11 | C12 | C13 | N3 | 90.0° | 58.7° |
| C11 | C12 | C13 | H131 | 90.0° | 180.0° |
| C11 | C12 | C13 | H132 | 90.0° | 60.3° |
| H111 | C11 | C12 | C13 | 90.0° | 60.1° |
| H111 | C11 | C12 | H121 | 90.0° | 61.5° |
| H111 | C11 | C12 | H122 | 90.0° | 178.0° |
| H112 | C11 | C12 | C13 | 90.0° | 179.8° |
| H112 | C11 | C12 | H121 | 90.0° | 58.2° |
| H112 | C11 | C12 | H122 | 90.0° | 58.3° |
| C13 | C12 | H121 | H122 | 90.0° | 117.9° |
| C12 | C13 | N3 | H131 | 90.0° | 123.3° |
| C12 | C13 | N3 | H132 | 90.0° | 120.7° |
| C12 | C13 | H131 | H132 | 90.0° | 120.8° |
| C12 | C13 | N3 | C14 | 90.0° | 63.4° |
| C12 | C13 | N3 | C17 | 90.0° | 173.7° |
| H121 | C12 | C13 | N3 | 90.0° | 63.2° |
| H121 | C12 | C13 | H131 | 90.0° | 58.0° |
| H121 | C12 | C13 | H132 | 90.0° | 177.8° |
| H122 | C12 | C13 | N3 | 90.0° | 179.7° |
| H122 | C12 | C13 | H131 | 90.0° | 58.5° |
| H122 | C12 | C13 | H132 | 90.0° | 61.3° |
| N3 | C13 | H131 | H132 | 90.0° | 115.2° |
| C13 | N3 | C14 | C17 | 90.0° | 123.1° |
| C13 | N3 | C14 | C15 | 90.0° | 179.9° |
| C13 | N3 | C14 | H141 | 90.0° | 57.9° |
| C13 | N3 | C14 | H142 | 90.0° | 60.4° |
| C13 | N3 | C17 | C16 | 90.0° | 180.0° |
| C13 | N3 | C17 | H171 | 90.0° | 60.4° |
| C13 | N3 | C17 | H172 | 90.0° | 57.9° |
| H131 | C13 | N3 | C14 | 90.0° | 60.0° |
| H131 | C13 | N3 | C17 | 90.0° | 63.0° |
| H132 | C13 | N3 | C14 | 90.0° | 175.9° |
| H132 | C13 | N3 | C17 | 90.0° | 53.0° |
| N3 | C14 | C15 | H141 | 90.0° | 122.6° |
| N3 | C14 | C15 | H142 | 90.0° | 120.3° |
| N3 | C14 | H141 | H142 | 90.0° | 119.5° |
| N3 | C14 | C15 | N4 | 90.0° | 56.9° |
| N3 | C14 | C15 | H151 | 90.0° | 65.7° |
| N3 | C14 | C15 | H152 | 90.0° | 177.4° |
| C14 | N3 | C17 | C16 | 90.0° | 56.9° |
| C14 | N3 | C17 | H171 | 90.0° | 176.5° |
| C14 | N3 | C17 | H172 | 90.0° | 65.3° |
| C17 | N3 | C14 | C15 | 90.0° | 56.8° |
| C17 | N3 | C14 | H141 | 90.0° | 65.3° |
| C17 | N3 | C14 | H142 | 90.0° | 176.5° |
| N3 | C17 | C16 | N4 | 90.0° | 57.0° |
| N3 | C17 | C16 | H171 | 90.0° | 120.3° |
| N3 | C17 | C16 | H172 | 90.0° | 122.7° |
| N3 | C17 | C16 | H161 | 90.0° | 177.3° |
| N3 | C17 | C16 | H162 | 90.0° | 65.6° |
| N3 | C17 | H171 | H172 | 90.0° | 120.4° |
| C15 | C14 | H141 | H142 | 90.0° | 117.8° |
| C14 | C15 | N4 | H151 | 90.0° | 122.1° |
| C14 | C15 | N4 | H152 | 90.0° | 119.8° |
| C14 | C15 | H151 | H152 | 90.0° | 117.7° |
| C14 | C15 | N4 | C16 | 90.0° | 56.7° |
| C14 | C15 | N4 | C18 | 90.0° | 179.9° |
| H141 | C14 | C15 | N4 | 90.0° | 65.7° |
| H141 | C14 | C15 | H151 | 90.0° | 171.7° |
| H141 | C14 | C15 | H152 | 90.0° | 54.8° |
| H142 | C14 | C15 | N4 | 90.0° | 177.3° |
| H142 | C14 | C15 | H151 | 90.0° | 54.6° |
| H142 | C14 | C15 | H152 | 90.0° | 62.3° |
| N4 | C15 | H151 | H152 | 90.0° | 119.6° |
| C15 | N4 | C16 | C18 | 90.0° | 123.2° |
| C15 | N4 | C16 | C17 | 90.0° | 56.7° |
| C15 | N4 | C16 | H161 | 90.0° | 176.4° |
| C15 | N4 | C16 | H162 | 90.0° | 65.4° |
| C15 | N4 | C18 | C19 | 90.0° | 63.4° |
| C15 | N4 | C18 | H181 | 90.0° | 60.0° |
| C15 | N4 | C18 | H182 | 90.0° | 175.9° |
| H151 | C15 | N4 | C16 | 90.0° | 65.4° |
| H151 | C15 | N4 | C18 | 90.0° | 57.8° |
| H152 | C15 | N4 | C16 | 90.0° | 176.5° |
| H152 | C15 | N4 | C18 | 90.0° | 60.4° |
| N4 | C16 | C17 | H161 | 90.0° | 120.3° |
| N4 | C16 | C17 | H162 | 90.0° | 122.7° |
| N4 | C16 | H161 | H162 | 90.0° | 120.3° |
| N4 | C16 | C17 | H171 | 90.0° | 177.3° |
| N4 | C16 | C17 | H172 | 90.0° | 65.7° |
| C16 | N4 | C18 | C19 | 90.0° | 173.6° |
| C16 | N4 | C18 | H181 | 90.0° | 63.0° |
| C16 | N4 | C18 | H182 | 90.0° | 52.9° |
| C18 | N4 | C16 | C17 | 90.0° | 179.9° |
| C18 | N4 | C16 | H161 | 90.0° | 60.5° |
| C18 | N4 | C16 | H162 | 90.0° | 57.8° |
| N4 | C18 | C19 | H181 | 90.0° | 121.4° |
| N4 | C18 | C19 | H182 | 90.0° | 119.0° |
| N4 | C18 | H181 | H182 | 90.0° | 115.2° |
| N4 | C18 | C19 | C20 | 90.0° | 58.7° |
| N4 | C18 | C19 | H191 | 90.0° | 63.3° |
| N4 | C18 | C19 | H192 | 90.0° | 179.7° |
| C17 | C16 | H161 | H162 | 90.0° | 118.6° |
| C16 | C17 | H171 | H172 | 90.0° | 118.6° |
| H161 | C16 | C17 | H171 | 90.0° | 62.4° |
| H161 | C16 | C17 | H172 | 90.0° | 54.6° |
| H162 | C16 | C17 | H171 | 90.0° | 54.7° |
| H162 | C16 | C17 | H172 | 90.0° | 171.7° |
| C19 | C18 | H181 | H182 | 90.0° | 120.7° |
| C18 | C19 | C20 | H191 | 90.0° | 121.6° |
| C18 | C19 | C20 | H192 | 90.0° | 122.0° |
| C18 | C19 | H191 | H192 | 90.0° | 117.9° |
| C18 | C19 | C20 | N5 | 90.0° | 59.0° |
| C18 | C19 | C20 | H201 | 90.0° | 59.9° |
| C18 | C19 | C20 | H202 | 90.0° | 179.7° |
| H181 | C18 | C19 | C20 | 90.0° | 180.0° |
| H181 | C18 | C19 | H191 | 90.0° | 58.1° |
| H181 | C18 | C19 | H192 | 90.0° | 58.4° |
| H182 | C18 | C19 | C20 | 90.0° | 60.3° |
| H182 | C18 | C19 | H191 | 90.0° | 177.7° |
| H182 | C18 | C19 | H192 | 90.0° | 61.3° |
| C20 | C19 | H191 | H192 | 90.0° | 117.4° |
| C19 | C20 | N5 | H201 | 90.0° | 120.7° |
| C19 | C20 | N5 | H202 | 90.0° | 123.4° |
| C19 | C20 | H201 | H202 | 90.0° | 121.9° |
| C19 | C20 | N5 | C21 | 90.0° | 179.3° |
| C19 | C20 | N5 | HN5 | 90.0° | 0.7° |
| H191 | C19 | C20 | N5 | 90.0° | 179.5° |
| H191 | C19 | C20 | H201 | 90.0° | 61.6° |
| H191 | C19 | C20 | H202 | 90.0° | 58.1° |
| H192 | C19 | C20 | N5 | 90.0° | 63.0° |
| H192 | C19 | C20 | H201 | 90.0° | 178.0° |
| H192 | C19 | C20 | H202 | 90.0° | 58.3° |
| N5 | C20 | H201 | H202 | 90.0° | 115.8° |
| C20 | N5 | C21 | HN5 | 90.0° | 179.9° |
| C20 | N5 | C21 | C22 | 90.0° | 0.1° |
| C20 | N5 | C21 | C47 | 90.0° | 180.0° |
| H201 | C20 | N5 | C21 | 90.0° | 60.1° |
| H201 | C20 | N5 | HN5 | 90.0° | 120.0° |
| H202 | C20 | N5 | C21 | 90.0° | 55.9° |
| H202 | C20 | N5 | HN5 | 90.0° | 124.1° |
| N5 | C21 | C22 | C47 | 90.0° | 179.9° |
| N5 | C21 | C22 | N6 | 90.0° | 0.0° |
| N5 | C21 | C22 | C46 | 90.0° | 180.0° |
| N5 | C21 | C47 | C46 | 90.0° | 180.0° |
| N5 | C21 | C47 | O14 | 90.0° | 0.2° |
| HN5 | N5 | C21 | C22 | 90.0° | 180.0° |
| HN5 | N5 | C21 | C47 | 90.0° | 0.1° |
| C21 | C22 | N6 | C46 | 90.0° | 179.9° |
| C21 | C22 | N6 | C23 | 90.0° | 0.1° |
| C21 | C22 | N6 | HN6 | 90.0° | 180.0° |
| C21 | C22 | C46 | O13 | 90.0° | 179.9° |
| C22 | C21 | C47 | C46 | 90.0° | 0.0° |
| C22 | C21 | C47 | O14 | 90.0° | 179.9° |
| C47 | C21 | C22 | N6 | 90.0° | 179.9° |
| C21 | C47 | C46 | O13 | 90.0° | 180.0° |
| C21 | C47 | C46 | O14 | 90.0° | 179.9° |
| C22 | N6 | C23 | HN6 | 90.0° | 179.9° |
| C22 | N6 | C23 | C24 | 90.0° | 177.3° |
| C22 | N6 | C23 | H231 | 90.0° | 60.0° |
| C22 | N6 | C23 | H232 | 90.0° | 56.5° |
| N6 | C22 | C46 | O13 | 90.0° | 0.1° |
| N6 | C22 | C46 | C47 | 90.0° | 179.9° |
| C46 | C22 | N6 | C23 | 90.0° | 180.0° |
| C46 | C22 | N6 | HN6 | 90.0° | 0.0° |
| C22 | C46 | O13 | C47 | 90.0° | 180.0° |
| C22 | C46 | C47 | O14 | 90.0° | 179.9° |
| N6 | C23 | C24 | H231 | 90.0° | 120.4° |
| N6 | C23 | C24 | H232 | 90.0° | 119.0° |
| N6 | C23 | H231 | H232 | 90.0° | 115.4° |
| N6 | C23 | C24 | N7 | 90.0° | 60.9° |
| N6 | C23 | C24 | H241 | 90.0° | 179.9° |
| N6 | C23 | C24 | H242 | 90.0° | 59.5° |
| HN6 | N6 | C23 | C24 | 90.0° | 2.7° |
| HN6 | N6 | C23 | H231 | 90.0° | 120.0° |
| HN6 | N6 | C23 | H232 | 90.0° | 123.6° |
| C24 | C23 | H231 | H232 | 90.0° | 121.4° |
| C23 | C24 | N7 | H241 | 90.0° | 121.0° |
| C23 | C24 | N7 | H242 | 90.0° | 122.7° |
| C23 | C24 | H241 | H242 | 90.0° | 122.2° |
| C23 | C24 | N7 | C25 | 90.0° | 90.0° |
| C23 | C24 | N7 | HN7 | 90.0° | 90.0° |
| H231 | C23 | C24 | N7 | 90.0° | 59.5° |
| H231 | C23 | C24 | H241 | 90.0° | 59.6° |
| H231 | C23 | C24 | H242 | 90.0° | 180.0° |
| H232 | C23 | C24 | N7 | 90.0° | 180.0° |
| H232 | C23 | C24 | H241 | 90.0° | 60.9° |
| H232 | C23 | C24 | H242 | 90.0° | 59.5° |
| N7 | C24 | H241 | H242 | 90.0° | 115.7° |
| C24 | N7 | C25 | HN7 | 90.0° | 180.0° |
| C24 | N7 | C25 | O7 | 90.0° | 0.0° |
| C24 | N7 | C25 | O8 | 90.0° | 180.0° |
| H241 | C24 | N7 | C25 | 90.0° | 31.0° |
| H241 | C24 | N7 | HN7 | 90.0° | 149.0° |
| H242 | C24 | N7 | C25 | 90.0° | 147.3° |
| H242 | C24 | N7 | HN7 | 90.0° | 32.7° |
| N7 | C25 | O7 | O8 | 90.0° | 179.9° |
| N7 | C25 | O8 | C26 | 90.0° | 179.9° |
| HN7 | N7 | C25 | O7 | 90.0° | 180.0° |
| HN7 | N7 | C25 | O8 | 90.0° | 0.0° |
| O7 | C25 | O8 | C26 | 90.0° | 0.0° |
| C25 | O8 | C26 | C27 | 90.0° | 90.0° |
| C25 | O8 | C26 | H261 | 90.0° | 31.9° |
| C25 | O8 | C26 | H262 | 90.0° | 149.6° |
| O8 | C26 | C27 | H261 | 90.0° | 120.1° |
| O8 | C26 | C27 | H262 | 90.0° | 118.6° |
| O8 | C26 | H261 | H262 | 90.0° | 116.9° |
| O8 | C26 | C27 | N8 | 90.0° | 177.9° |
| O8 | C26 | C27 | C28 | 90.0° | 59.9° |
| O8 | C26 | C27 | H27 | 90.0° | 62.2° |
| C27 | C26 | H261 | H262 | 90.0° | 122.5° |
| C26 | C27 | N8 | C28 | 90.0° | 122.7° |
| C26 | C27 | N8 | H27 | 90.0° | 118.6° |
| C26 | C27 | C28 | H27 | 90.0° | 122.1° |
| C26 | C27 | N8 | HN81 | 90.0° | 53.0° |
| C26 | C27 | N8 | HN82 | 90.0° | 140.4° |
| C26 | C27 | C28 | O9 | 90.0° | 178.6° |
| C26 | C27 | C28 | H281 | 90.0° | 60.0° |
| C26 | C27 | C28 | H282 | 90.0° | 61.5° |
| H261 | C26 | C27 | N8 | 90.0° | 57.8° |
| H261 | C26 | C27 | C28 | 90.0° | 180.0° |
| H261 | C26 | C27 | H27 | 90.0° | 57.8° |
| H262 | C26 | C27 | N8 | 90.0° | 63.5° |
| H262 | C26 | C27 | C28 | 90.0° | 58.6° |
| H262 | C26 | C27 | H27 | 90.0° | 179.2° |
| N8 | C27 | C28 | H27 | 90.0° | 115.6° |
| C27 | N8 | HN81 | HN82 | 90.0° | 166.2° |
| N8 | C27 | C28 | O9 | 90.0° | 59.1° |
| N8 | C27 | C28 | H281 | 90.0° | 177.7° |
| N8 | C27 | C28 | H282 | 90.0° | 60.8° |
| C28 | C27 | N8 | HN81 | 90.0° | 175.7° |
| C28 | C27 | N8 | HN82 | 90.0° | 17.7° |
| C27 | C28 | O9 | H281 | 90.0° | 120.5° |
| C27 | C28 | O9 | H282 | 90.0° | 121.8° |
| C27 | C28 | H281 | H282 | 90.0° | 123.0° |
| C27 | C28 | O9 | C29 | 90.0° | 180.0° |
| H27 | C27 | N8 | HN81 | 90.0° | 65.6° |
| H27 | C27 | N8 | HN82 | 90.0° | 100.9° |
| H27 | C27 | C28 | O9 | 90.0° | 56.5° |
| H27 | C27 | C28 | H281 | 90.0° | 62.1° |
| H27 | C27 | C28 | H282 | 90.0° | 176.4° |
| O9 | C28 | H281 | H282 | 90.0° | 117.4° |
| C28 | O9 | C29 | O10 | 90.0° | 0.0° |
| C28 | O9 | C29 | N9 | 90.0° | 180.0° |
| H281 | C28 | O9 | C29 | 90.0° | 59.5° |
| H282 | C28 | O9 | C29 | 90.0° | 58.2° |
| O9 | C29 | O10 | N9 | 90.0° | 179.9° |
| O9 | C29 | N9 | C30 | 90.0° | 180.0° |
| O9 | C29 | N9 | HN9 | 90.0° | 0.0° |
| O10 | C29 | N9 | C30 | 90.0° | 0.1° |
| O10 | C29 | N9 | HN9 | 90.0° | 180.0° |
| C29 | N9 | C30 | HN9 | 90.0° | 180.0° |
| C29 | N9 | C30 | C31 | 90.0° | 90.0° |
| C29 | N9 | C30 | H301 | 90.0° | 31.0° |
| C29 | N9 | C30 | H302 | 90.0° | 147.3° |
| N9 | C30 | C31 | H301 | 90.0° | 119.1° |
| N9 | C30 | C31 | H302 | 90.0° | 120.4° |
| N9 | C30 | H301 | H302 | 90.0° | 115.7° |
| N9 | C30 | C31 | N10 | 90.0° | 60.9° |
| N9 | C30 | C31 | H311 | 90.0° | 59.5° |
| N9 | C30 | C31 | H312 | 90.0° | 179.9° |
| HN9 | N9 | C30 | C31 | 90.0° | 90.0° |
| HN9 | N9 | C30 | H301 | 90.0° | 149.0° |
| HN9 | N9 | C30 | H302 | 90.0° | 32.6° |
| C31 | C30 | H301 | H302 | 90.0° | 122.2° |
| C30 | C31 | N10 | H311 | 90.0° | 122.7° |
| C30 | C31 | N10 | H312 | 90.0° | 120.8° |
| C30 | C31 | H311 | H312 | 90.0° | 121.4° |
| C30 | C31 | N10 | C32 | 90.0° | 177.3° |
| C30 | C31 | N10 | H10 | 90.0° | 2.7° |
| H301 | C30 | C31 | N10 | 90.0° | 180.0° |
| H301 | C30 | C31 | H311 | 90.0° | 59.6° |
| H301 | C30 | C31 | H312 | 90.0° | 60.9° |
| H302 | C30 | C31 | N10 | 90.0° | 59.5° |
| H302 | C30 | C31 | H311 | 90.0° | 179.9° |
| H302 | C30 | C31 | H312 | 90.0° | 59.5° |
| N10 | C31 | H311 | H312 | 90.0° | 115.4° |
| C31 | N10 | C32 | H10 | 90.0° | 180.0° |
| C31 | N10 | C32 | C33 | 90.0° | 0.1° |
| C31 | N10 | C32 | C45 | 90.0° | 180.0° |
| H311 | C31 | N10 | C32 | 90.0° | 60.0° |
| H311 | C31 | N10 | H10 | 90.0° | 120.0° |
| H312 | C31 | N10 | C32 | 90.0° | 56.5° |
| H312 | C31 | N10 | H10 | 90.0° | 123.5° |
| N10 | C32 | C33 | C45 | 90.0° | 180.0° |
| N10 | C32 | C33 | N11 | 90.0° | 0.1° |
| N10 | C32 | C33 | C44 | 90.0° | 180.0° |
| N10 | C32 | C45 | C44 | 90.0° | 180.0° |
| N10 | C32 | C45 | O12 | 90.0° | 0.0° |
| H10 | N10 | C32 | C33 | 90.0° | 179.9° |
| H10 | N10 | C32 | C45 | 90.0° | 0.1° |
| C32 | C33 | N11 | C44 | 90.0° | 180.0° |
| C32 | C33 | N11 | C34 | 90.0° | 0.0° |
| C32 | C33 | N11 | H11 | 90.0° | 179.9° |
| C32 | C33 | C44 | O11 | 90.0° | 179.9° |
| C33 | C32 | C45 | C44 | 90.0° | 0.0° |
| C33 | C32 | C45 | O12 | 90.0° | 180.0° |
| C45 | C32 | C33 | N11 | 90.0° | 179.9° |
| C32 | C45 | C44 | O11 | 90.0° | 179.9° |
| C32 | C45 | C44 | O12 | 90.0° | 180.0° |
| C33 | N11 | C34 | H11 | 90.0° | 179.9° |
| C33 | N11 | C34 | C35 | 90.0° | 179.3° |
| C33 | N11 | C34 | H341 | 90.0° | 60.0° |
| C33 | N11 | C34 | H342 | 90.0° | 55.8° |
| N11 | C33 | C44 | O11 | 90.0° | 0.1° |
| N11 | C33 | C44 | C45 | 90.0° | 180.0° |
| C44 | C33 | N11 | C34 | 90.0° | 180.0° |
| C44 | C33 | N11 | H11 | 90.0° | 0.0° |
| C33 | C44 | O11 | C45 | 90.0° | 179.9° |
| C33 | C44 | C45 | O12 | 90.0° | 180.0° |
| N11 | C34 | C35 | H341 | 90.0° | 118.9° |
| N11 | C34 | C35 | H342 | 90.0° | 121.4° |
| N11 | C34 | H341 | H342 | 90.0° | 115.8° |
| N11 | C34 | C35 | C36 | 90.0° | 61.0° |
| N11 | C34 | C35 | H351 | 90.0° | 60.5° |
| N11 | C34 | C35 | H352 | 90.0° | 177.0° |
| H11 | N11 | C34 | C35 | 90.0° | 0.7° |
| H11 | N11 | C34 | H341 | 90.0° | 120.0° |
| H11 | N11 | C34 | H342 | 90.0° | 124.1° |
| C35 | C34 | H341 | H342 | 90.0° | 121.8° |
| C34 | C35 | C36 | H351 | 90.0° | 121.9° |
| C34 | C35 | C36 | H352 | 90.0° | 121.6° |
| C34 | C35 | H351 | H352 | 90.0° | 117.4° |
| C34 | C35 | C36 | N12 | 90.0° | 58.7° |
| C34 | C35 | C36 | H361 | 90.0° | 180.0° |
| C34 | C35 | C36 | H362 | 90.0° | 60.3° |
| H341 | C34 | C35 | C36 | 90.0° | 179.9° |
| H341 | C34 | C35 | H351 | 90.0° | 58.4° |
| H341 | C34 | C35 | H352 | 90.0° | 58.1° |
| H342 | C34 | C35 | C36 | 90.0° | 60.3° |
| H342 | C34 | C35 | H351 | 90.0° | 178.1° |
| H342 | C34 | C35 | H352 | 90.0° | 61.7° |
| C36 | C35 | H351 | H352 | 90.0° | 117.9° |
| C35 | C36 | N12 | H361 | 90.0° | 123.4° |
| C35 | C36 | N12 | H362 | 90.0° | 120.7° |
| C35 | C36 | H361 | H362 | 90.0° | 120.8° |
| C35 | C36 | N12 | C37 | 90.0° | 63.4° |
| C35 | C36 | N12 | C40 | 90.0° | 173.6° |
| H351 | C35 | C36 | N12 | 90.0° | 63.3° |
| H351 | C35 | C36 | H361 | 90.0° | 58.1° |
| H351 | C35 | C36 | H362 | 90.0° | 177.8° |
| H352 | C35 | C36 | N12 | 90.0° | 179.7° |
| H352 | C35 | C36 | H361 | 90.0° | 58.4° |
| H352 | C35 | C36 | H362 | 90.0° | 61.3° |
| N12 | C36 | H361 | H362 | 90.0° | 115.2° |
| C36 | N12 | C37 | C40 | 90.0° | 123.2° |
| C36 | N12 | C37 | C38 | 90.0° | 179.8° |
| C36 | N12 | C37 | H371 | 90.0° | 57.7° |
| C36 | N12 | C37 | H372 | 90.0° | 60.4° |
| C36 | N12 | C40 | C39 | 90.0° | 179.9° |
| C36 | N12 | C40 | H401 | 90.0° | 60.4° |
| C36 | N12 | C40 | H402 | 90.0° | 57.8° |
| H361 | C36 | N12 | C37 | 90.0° | 60.0° |
| H361 | C36 | N12 | C40 | 90.0° | 63.0° |
| H362 | C36 | N12 | C37 | 90.0° | 175.9° |
| H362 | C36 | N12 | C40 | 90.0° | 52.9° |
| N12 | C37 | C38 | H371 | 90.0° | 122.7° |
| N12 | C37 | C38 | H372 | 90.0° | 120.4° |
| N12 | C37 | H371 | H372 | 90.0° | 119.5° |
| N12 | C37 | C38 | N13 | 90.0° | 57.0° |
| N12 | C37 | C38 | H381 | 90.0° | 65.7° |
| N12 | C37 | C38 | H382 | 90.0° | 177.3° |
| C37 | N12 | C40 | C39 | 90.0° | 56.7° |
| C37 | N12 | C40 | H401 | 90.0° | 176.5° |
| C37 | N12 | C40 | H402 | 90.0° | 65.4° |
| C40 | N12 | C37 | C38 | 90.0° | 56.7° |
| C40 | N12 | C37 | H371 | 90.0° | 65.4° |
| C40 | N12 | C37 | H372 | 90.0° | 176.4° |
| N12 | C40 | C39 | N13 | 90.0° | 57.0° |
| N12 | C40 | C39 | H401 | 90.0° | 120.4° |
| N12 | C40 | C39 | H402 | 90.0° | 122.7° |
| N12 | C40 | C39 | H391 | 90.0° | 177.3° |
| N12 | C40 | C39 | H392 | 90.0° | 65.7° |
| N12 | C40 | H401 | H402 | 90.0° | 120.3° |
| C38 | C37 | H371 | H372 | 90.0° | 117.7° |
| C37 | C38 | N13 | H381 | 90.0° | 122.1° |
| C37 | C38 | N13 | H382 | 90.0° | 119.7° |
| C37 | C38 | H381 | H382 | 90.0° | 117.8° |
| C37 | C38 | N13 | C39 | 90.0° | 56.8° |
| C37 | C38 | N13 | C41 | 90.0° | 179.9° |
| H371 | C37 | C38 | N13 | 90.0° | 65.8° |
| H371 | C37 | C38 | H381 | 90.0° | 171.6° |
| H371 | C37 | C38 | H382 | 90.0° | 54.6° |
| H372 | C37 | C38 | N13 | 90.0° | 177.3° |
| H372 | C37 | C38 | H381 | 90.0° | 54.7° |
| H372 | C37 | C38 | H382 | 90.0° | 62.3° |
| N13 | C38 | H381 | H382 | 90.0° | 119.5° |
| C38 | N13 | C39 | C41 | 90.0° | 123.1° |
| C38 | N13 | C39 | C40 | 90.0° | 56.8° |
| C38 | N13 | C39 | H391 | 90.0° | 176.5° |
| C38 | N13 | C39 | H392 | 90.0° | 65.2° |
| C38 | N13 | C41 | C42 | 90.0° | 63.4° |
| C38 | N13 | C41 | H411 | 90.0° | 60.0° |
| C38 | N13 | C41 | H412 | 90.0° | 175.9° |
| H381 | C38 | N13 | C39 | 90.0° | 65.3° |
| H381 | C38 | N13 | C41 | 90.0° | 57.9° |
| H382 | C38 | N13 | C39 | 90.0° | 176.5° |
| H382 | C38 | N13 | C41 | 90.0° | 60.3° |
| N13 | C39 | C40 | H391 | 90.0° | 120.3° |
| N13 | C39 | C40 | H392 | 90.0° | 122.7° |
| N13 | C39 | H391 | H392 | 90.0° | 120.3° |
| N13 | C39 | C40 | H401 | 90.0° | 177.4° |
| N13 | C39 | C40 | H402 | 90.0° | 65.7° |
| C39 | N13 | C41 | C42 | 90.0° | 173.7° |
| C39 | N13 | C41 | H411 | 90.0° | 62.9° |
| C39 | N13 | C41 | H412 | 90.0° | 53.0° |
| C41 | N13 | C39 | C40 | 90.0° | 179.9° |
| C41 | N13 | C39 | H391 | 90.0° | 60.4° |
| C41 | N13 | C39 | H392 | 90.0° | 57.9° |
| N13 | C41 | C42 | H411 | 90.0° | 121.3° |
| N13 | C41 | C42 | H412 | 90.0° | 118.9° |
| N13 | C41 | H411 | H412 | 90.0° | 115.1° |
| N13 | C41 | C42 | C43 | 90.0° | 178.7° |
| N13 | C41 | C42 | H421 | 90.0° | 56.7° |
| N13 | C41 | C42 | H422 | 90.0° | 59.7° |
| C40 | C39 | H391 | H392 | 90.0° | 118.6° |
| C39 | C40 | H401 | H402 | 90.0° | 118.6° |
| H391 | C39 | C40 | H401 | 90.0° | 62.3° |
| H391 | C39 | C40 | H402 | 90.0° | 54.6° |
| H392 | C39 | C40 | H401 | 90.0° | 54.7° |
| H392 | C39 | C40 | H402 | 90.0° | 171.7° |
| C42 | C41 | H411 | H412 | 90.0° | 120.9° |
| C41 | C42 | C43 | H421 | 90.0° | 121.5° |
| C41 | C42 | C43 | H422 | 90.0° | 122.0° |
| C41 | C42 | H421 | H422 | 90.0° | 117.9° |
| C41 | C42 | C43 | H431 | 90.0° | 180.0° |
| C41 | C42 | C43 | H432 | 90.0° | 60.4° |
| H411 | C41 | C42 | C43 | 90.0° | 60.1° |
| H411 | C41 | C42 | H421 | 90.0° | 178.0° |
| H411 | C41 | C42 | H422 | 90.0° | 61.5° |
| H412 | C41 | C42 | C43 | 90.0° | 59.7° |
| H412 | C41 | C42 | H421 | 90.0° | 62.2° |
| H412 | C41 | C42 | H422 | 90.0° | 178.7° |
| C43 | C42 | H421 | H422 | 90.0° | 117.5° |
| C42 | C43 | H431 | H432 | 90.0° | 121.8° |
| H421 | C42 | C43 | H431 | 90.0° | 58.5° |
| H421 | C42 | C43 | H432 | 90.0° | 178.1° |
| H422 | C42 | C43 | H431 | 90.0° | 58.0° |
| H422 | C42 | C43 | H432 | 90.0° | 61.6° |
| O11 | C44 | C45 | O12 | 90.0° | 0.1° |
| O13 | C46 | C47 | O14 | 90.0° | 0.1° |
| O15 | C48 | C49 | H48 | 90.0° | 116.9° |
| O15 | C48 | C49 | O16 | 90.0° | 54.4° |
| O15 | C48 | C49 | C50 | 90.0° | 68.8° |
| O15 | C48 | C49 | H49 | 90.0° | 172.0° |
| C49 | C48 | O15 | H15 | 90.0° | 34.2° |
| C48 | C49 | O16 | C50 | 90.0° | 124.2° |
| C48 | C49 | O16 | H49 | 90.0° | 118.5° |
| C48 | C49 | C50 | H49 | 90.0° | 119.6° |
| C48 | C49 | O16 | H16 | 90.0° | 135.3° |
| C48 | C49 | C50 | O17 | 90.0° | 69.3° |
| C48 | C49 | C50 | H50 | 90.0° | 174.0° |
| H48 | C48 | O15 | H15 | 90.0° | 154.0° |
| H48 | C48 | C49 | O16 | 90.0° | 62.4° |
| H48 | C48 | C49 | C50 | 90.0° | 174.4° |
| H48 | C48 | C49 | H49 | 90.0° | 55.1° |
| O16 | C49 | C50 | H49 | 90.0° | 116.7° |
| O16 | C49 | C50 | O17 | 90.0° | 54.3° |
| O16 | C49 | C50 | H50 | 90.0° | 62.3° |
| C50 | C49 | O16 | H16 | 90.0° | 11.1° |
| C49 | C50 | O17 | H50 | 90.0° | 118.4° |
| C49 | C50 | O17 | H17 | 90.0° | 150.2° |
| H49 | C49 | O16 | H16 | 90.0° | 106.2° |
| H49 | C49 | C50 | O17 | 90.0° | 171.1° |
| H49 | C49 | C50 | H50 | 90.0° | 54.4° |
| H50 | C50 | O17 | H17 | 90.0° | 31.8° |
