A1AM2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.47Å | 1.29Å | |
| C03 | N02 | sing | 1.47Å | 1.39Å | |
| N05 | C04 | sing | 1.47Å | 1.46Å | |
| C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| F12 | C11 | sing | 1.35Å | 1.36Å | |
| C13 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| O17 | C16 | doub | 1.22Å | 1.15Å | |
| N18 | C16 | sing | 1.35Å | 1.46Å | |
| C19 | N18 | sing | 1.46Å | 1.45Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| O21 | C20 | sing | 1.43Å | 1.40Å | |
| C22 | O21 | sing | 1.43Å | 1.40Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| O24 | C23 | sing | 1.43Å | 1.40Å | |
| C25 | O24 | sing | 1.43Å | 1.41Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| O27 | C26 | sing | 1.43Å | 1.42Å | |
| C28 | O27 | sing | 1.43Å | 1.41Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| O30 | C29 | sing | 1.43Å | 1.41Å | |
| C31 | O30 | sing | 1.43Å | 1.41Å | |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| N33 | C32 | sing | 1.46Å | 1.47Å | |
| C34 | N33 | sing | 1.35Å | 1.47Å | |
| O35 | C34 | doub | 1.22Å | 1.18Å | |
| C36 | C34 | sing | 1.41Å | 1.54Å | |
| C37 | C36 | doub | 1.36Å | 1.33Å | |
| C38 | C37 | sing | 1.41Å | 1.54Å | |
| C39 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| F42 | C41 | sing | 1.35Å | 1.35Å | |
| C43 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| CL45 | C44 | sing | 1.74Å | 1.79Å | |
| C46 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| C47 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.48Å | 1.40Å | |
| C48 | C39 | sing | 1.47Å | 1.39Å | Aromatic |
| O50 | C49 | doub | 1.22Å | 1.17Å | |
| N51 | C49 | sing | 1.35Å | 1.46Å | |
| C52 | N51 | sing | 1.47Å | 1.45Å | |
| C54 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C54 | sing | 1.38Å | 1.38Å | Aromatic |
| C56 | C55 | doub | 1.38Å | 1.38Å | Aromatic |
| F57 | C56 | sing | 1.35Å | 1.35Å | |
| C58 | C56 | sing | 1.39Å | 1.39Å | Aromatic |
| CL59 | C58 | sing | 1.74Å | 1.78Å | |
| C60 | C58 | doub | 1.38Å | 1.38Å | Aromatic |
| C53 | C52 | sing | 1.51Å | 1.52Å | |
| C61 | C52 | sing | 1.53Å | 1.51Å | |
| C62 | C61 | sing | 1.51Å | 1.53Å | |
| O63 | C62 | doub | 1.21Å | 1.18Å | |
| N64 | C62 | sing | 1.35Å | 1.45Å | |
| C49 | C48 | sing | 1.47Å | 1.54Å | |
| C65 | C48 | doub | 1.38Å | 1.38Å | Aromatic |
| N66 | C65 | sing | 1.34Å | 1.32Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.55Å | |
| C67 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.48Å | 1.42Å | |
| C68 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C69 | C68 | doub | 1.38Å | 1.38Å | Aromatic |
| N70 | C69 | sing | 1.40Å | 1.46Å | |
| C71 | N70 | sing | 1.35Å | 1.46Å | |
| O72 | C71 | doub | 1.22Å | 1.17Å | |
| C73 | C71 | sing | 1.47Å | 1.54Å | |
| F76 | C75 | sing | 1.40Å | 1.36Å | |
| F77 | C75 | sing | 1.40Å | 1.36Å | |
| F78 | C75 | sing | 1.40Å | 1.35Å | |
| C75 | C74 | sing | 1.51Å | 1.53Å | |
| C79 | C74 | doub | 1.36Å | 1.49Å | |
| C80 | C79 | sing | 1.41Å | 1.52Å | |
| O81 | C80 | doub | 1.22Å | 1.17Å | |
| N82 | C80 | sing | 1.35Å | 1.46Å | |
| C74 | C73 | sing | 1.42Å | 1.50Å | |
| C83 | C73 | doub | 1.38Å | 1.52Å | |
| C06 | N05 | sing | 1.40Å | 1.48Å | |
| C84 | N05 | sing | 1.47Å | 1.46Å | |
| C85 | C84 | sing | 1.53Å | 1.55Å | |
| C86 | C85 | sing | 1.53Å | 1.58Å | |
| C04 | C03 | sing | 1.53Å | 1.55Å | |
| C87 | C03 | sing | 1.53Å | 1.58Å | |
| N02 | C85 | sing | 1.47Å | 1.39Å | |
| C06 | C69 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C67 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | N66 | sing | 1.38Å | 1.32Å | Aromatic |
| C40 | C47 | sing | 1.40Å | 1.39Å | Aromatic |
| C53 | C60 | sing | 1.38Å | 1.39Å | Aromatic |
| N82 | C83 | sing | 1.35Å | 1.47Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| C60 | H601 | sing | 1.08Å | 1.08Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C65 | H651 | sing | 1.08Å | 1.08Å | |
| C67 | H671 | sing | 1.08Å | 1.08Å | |
| C68 | H681 | sing | 1.08Å | 1.08Å | |
| C79 | H791 | sing | 1.08Å | 1.08Å | |
| C83 | H831 | sing | 1.08Å | 1.08Å | |
| C84 | H842 | sing | 1.09Å | 1.10Å | |
| C84 | H841 | sing | 1.09Å | 1.10Å | |
| C85 | H851 | sing | 1.09Å | 1.10Å | |
| C86 | H862 | sing | 1.09Å | 1.10Å | |
| C86 | H861 | sing | 1.09Å | 1.10Å | |
| C86 | H863 | sing | 1.09Å | 1.10Å | |
| C87 | H872 | sing | 1.09Å | 1.10Å | |
| C87 | H873 | sing | 1.09Å | 1.10Å | |
| C87 | H871 | sing | 1.09Å | 1.10Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N51 | H511 | sing | 0.97Å | 1.00Å | |
| N64 | H642 | sing | 0.97Å | 1.00Å | |
| N64 | H641 | sing | 0.97Å | 1.00Å | |
| N66 | H661 | sing | 0.97Å | 1.00Å | |
| N70 | H701 | sing | 0.97Å | 1.00Å | |
| N82 | H821 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 110.5° | 111.0° |
| C01 | N02 | C85 | 112.8° | 111.0° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C03 | C04 | 113.5° | 109.4° |
| N02 | C03 | C87 | 111.5° | 109.5° |
| C03 | N02 | C85 | 112.3° | 110.9° |
| N02 | C03 | H031 | 110.7° | 109.4° |
| C04 | N05 | C06 | 120.0° | 111.0° |
| C04 | N05 | C84 | 102.6° | 110.9° |
| N05 | C04 | C03 | 114.1° | 109.4° |
| N05 | C04 | H041 | 108.3° | 109.5° |
| N05 | C04 | H042 | 108.3° | 109.5° |
| C06 | C07 | C08 | 120.5° | 120.1° |
| C07 | C06 | N05 | 121.7° | 120.0° |
| C07 | C06 | C69 | 118.5° | 120.0° |
| C06 | C07 | H071 | 119.8° | 120.0° |
| C07 | C08 | C09 | 120.7° | 120.0° |
| C08 | C07 | H071 | 119.7° | 119.9° |
| C07 | C08 | H081 | 119.6° | 120.0° |
| C08 | C09 | C10 | 122.0° | 120.0° |
| C08 | C09 | C68 | 118.2° | 120.0° |
| C09 | C08 | H081 | 119.7° | 120.0° |
| C10 | C11 | F12 | 122.4° | 120.0° |
| C10 | C11 | C13 | 119.4° | 120.1° |
| C11 | C10 | C09 | 124.7° | 120.0° |
| C11 | C10 | C67 | 118.6° | 119.9° |
| F12 | C11 | C13 | 118.1° | 119.9° |
| C11 | C13 | C14 | 120.8° | 120.2° |
| C11 | C13 | H131 | 119.6° | 119.9° |
| C13 | C14 | C15 | 120.4° | 120.2° |
| C14 | C13 | H131 | 119.6° | 119.9° |
| C13 | C14 | H141 | 119.8° | 119.9° |
| C14 | C15 | C16 | 124.3° | 120.1° |
| C14 | C15 | C67 | 118.8° | 119.8° |
| C15 | C14 | H141 | 119.8° | 119.9° |
| O17 | C16 | N18 | 111.6° | 120.0° |
| O17 | C16 | C15 | 116.3° | 120.0° |
| C16 | N18 | C19 | 126.0° | 120.0° |
| N18 | C16 | C15 | 132.1° | 120.0° |
| C16 | N18 | H181 | 117.0° | 120.0° |
| N18 | C19 | C20 | 108.7° | 109.5° |
| N18 | C19 | H191 | 109.7° | 109.5° |
| N18 | C19 | H192 | 109.6° | 109.4° |
| C19 | N18 | H181 | 117.0° | 120.0° |
| C19 | C20 | O21 | 106.3° | 109.5° |
| C20 | C19 | H191 | 109.6° | 109.5° |
| C20 | C19 | H192 | 109.7° | 109.5° |
| C19 | C20 | H202 | 110.3° | 109.5° |
| C19 | C20 | H201 | 110.3° | 109.5° |
| C20 | O21 | C22 | 113.1° | 114.0° |
| O21 | C20 | H202 | 110.3° | 109.4° |
| O21 | C20 | H201 | 110.3° | 109.5° |
| O21 | C22 | C23 | 106.1° | 109.5° |
| O21 | C22 | H222 | 110.3° | 109.4° |
| O21 | C22 | H221 | 110.3° | 109.5° |
| C22 | C23 | O24 | 106.1° | 109.5° |
| C23 | C22 | H222 | 110.3° | 109.5° |
| C23 | C22 | H221 | 110.3° | 109.5° |
| C22 | C23 | H232 | 110.3° | 109.4° |
| C22 | C23 | H231 | 110.3° | 109.5° |
| C23 | O24 | C25 | 113.8° | 114.0° |
| O24 | C23 | H232 | 110.3° | 109.5° |
| O24 | C23 | H231 | 110.3° | 109.5° |
| O24 | C25 | C26 | 108.6° | 109.4° |
| O24 | C25 | H252 | 109.7° | 109.5° |
| O24 | C25 | H251 | 109.7° | 109.5° |
| C25 | C26 | O27 | 108.8° | 109.5° |
| C26 | C25 | H252 | 109.7° | 109.5° |
| C26 | C25 | H251 | 109.7° | 109.5° |
| C25 | C26 | H262 | 109.6° | 109.4° |
| C25 | C26 | H261 | 109.6° | 109.4° |
| C26 | O27 | C28 | 114.5° | 114.0° |
| O27 | C26 | H262 | 109.6° | 109.5° |
| O27 | C26 | H261 | 109.6° | 109.5° |
| O27 | C28 | C29 | 107.1° | 109.5° |
| O27 | C28 | H282 | 110.1° | 109.5° |
| O27 | C28 | H281 | 110.1° | 109.5° |
| C28 | C29 | O30 | 108.9° | 109.5° |
| C29 | C28 | H282 | 110.1° | 109.5° |
| C29 | C28 | H281 | 110.1° | 109.4° |
| C28 | C29 | H291 | 109.6° | 109.5° |
| C28 | C29 | H292 | 109.6° | 109.4° |
| C29 | O30 | C31 | 114.4° | 114.0° |
| O30 | C29 | H291 | 109.6° | 109.5° |
| O30 | C29 | H292 | 109.6° | 109.5° |
| O30 | C31 | C32 | 109.8° | 109.4° |
| O30 | C31 | H312 | 109.4° | 109.5° |
| O30 | C31 | H311 | 109.4° | 109.5° |
| C31 | C32 | N33 | 110.5° | 109.5° |
| C32 | C31 | H312 | 109.4° | 109.5° |
| C32 | C31 | H311 | 109.4° | 109.4° |
| C31 | C32 | H321 | 109.2° | 109.4° |
| C31 | C32 | H322 | 109.2° | 109.5° |
| C32 | N33 | C34 | 121.7° | 120.0° |
| N33 | C32 | H321 | 109.2° | 109.5° |
| N33 | C32 | H322 | 109.2° | 109.5° |
| C32 | N33 | H331 | 119.1° | 120.0° |
| N33 | C34 | O35 | 121.4° | 120.0° |
| N33 | C34 | C36 | 118.3° | 120.0° |
| C34 | N33 | H331 | 119.1° | 120.1° |
| O35 | C34 | C36 | 120.3° | 120.0° |
| C34 | C36 | C37 | 127.7° | 120.0° |
| C34 | C36 | H361 | 116.2° | 120.0° |
| C36 | C37 | C38 | 152.6° | 119.9° |
| C37 | C36 | H361 | 116.1° | 120.0° |
| C36 | C37 | H371 | 103.7° | 120.0° |
| C37 | C38 | C39 | 126.7° | 125.9° |
| C37 | C38 | N66 | 124.5° | 126.0° |
| C38 | C37 | H371 | 103.7° | 120.0° |
| C38 | C39 | C40 | 127.7° | 127.1° |
| C38 | C39 | C48 | 105.6° | 105.8° |
| C39 | C38 | N66 | 108.9° | 108.0° |
| C40 | C41 | F42 | 120.6° | 120.1° |
| C40 | C41 | C43 | 120.1° | 119.8° |
| C41 | C40 | C39 | 121.3° | 120.1° |
| C41 | C40 | C47 | 120.0° | 119.7° |
| F42 | C41 | C43 | 119.2° | 120.1° |
| C41 | C43 | C44 | 120.0° | 120.1° |
| C41 | C43 | H431 | 120.0° | 119.9° |
| C43 | C44 | CL45 | 120.6° | 119.9° |
| C43 | C44 | C46 | 119.7° | 120.3° |
| C44 | C43 | H431 | 120.0° | 120.0° |
| CL45 | C44 | C46 | 119.7° | 119.8° |
| C44 | C46 | C47 | 120.3° | 120.2° |
| C44 | C46 | H461 | 119.9° | 119.9° |
| C46 | C47 | C40 | 119.9° | 119.9° |
| C47 | C46 | H461 | 119.8° | 120.0° |
| C46 | C47 | H471 | 120.1° | 120.0° |
| C40 | C39 | C48 | 126.7° | 127.1° |
| C39 | C40 | C47 | 118.7° | 120.1° |
| C39 | C48 | C49 | 127.1° | 126.9° |
| C39 | C48 | C65 | 106.5° | 106.4° |
| O50 | C49 | N51 | 119.6° | 120.0° |
| O50 | C49 | C48 | 120.0° | 119.9° |
| C49 | N51 | C52 | 121.1° | 120.0° |
| N51 | C49 | C48 | 120.4° | 120.0° |
| C49 | N51 | H511 | 119.4° | 120.0° |
| N51 | C52 | C53 | 108.7° | 109.5° |
| N51 | C52 | C61 | 108.3° | 109.4° |
| N51 | C52 | H521 | 111.3° | 109.5° |
| C52 | N51 | H511 | 119.4° | 120.0° |
| C53 | C54 | C55 | 120.0° | 120.1° |
| C54 | C53 | C52 | 118.5° | 120.0° |
| C54 | C53 | C60 | 120.0° | 120.1° |
| C53 | C54 | H541 | 120.0° | 120.0° |
| C54 | C55 | C56 | 119.9° | 120.0° |
| C55 | C54 | H541 | 120.0° | 120.0° |
| C54 | C55 | H551 | 120.1° | 120.0° |
| C55 | C56 | F57 | 119.6° | 120.1° |
| C55 | C56 | C58 | 120.2° | 119.9° |
| C56 | C55 | H551 | 120.0° | 120.0° |
| F57 | C56 | C58 | 120.1° | 120.0° |
| C56 | C58 | CL59 | 122.0° | 120.1° |
| C56 | C58 | C60 | 120.0° | 119.9° |
| CL59 | C58 | C60 | 118.0° | 120.0° |
| C58 | C60 | C53 | 119.9° | 120.0° |
| C58 | C60 | H601 | 120.1° | 120.0° |
| C53 | C52 | C61 | 108.0° | 109.5° |
| C52 | C53 | C60 | 121.5° | 119.9° |
| C53 | C52 | H521 | 110.1° | 109.5° |
| C52 | C61 | C62 | 114.6° | 109.5° |
| C61 | C52 | H521 | 110.3° | 109.5° |
| C52 | C61 | H612 | 108.2° | 109.4° |
| C52 | C61 | H611 | 108.2° | 109.4° |
| C61 | C62 | O63 | 119.4° | 120.0° |
| C61 | C62 | N64 | 118.8° | 120.0° |
| C62 | C61 | H612 | 108.2° | 109.5° |
| C62 | C61 | H611 | 108.2° | 109.5° |
| O63 | C62 | N64 | 121.8° | 120.0° |
| C62 | N64 | H642 | 120.0° | 120.0° |
| C62 | N64 | H641 | 120.0° | 120.0° |
| C49 | C48 | C65 | 126.3° | 126.7° |
| C48 | C65 | N66 | 108.9° | 109.2° |
| C48 | C65 | H651 | 125.5° | 125.4° |
| C65 | N66 | C38 | 110.1° | 110.6° |
| N66 | C65 | H651 | 125.5° | 125.4° |
| C65 | N66 | H661 | 125.0° | 124.7° |
| C16 | C15 | C67 | 116.9° | 120.1° |
| C15 | C67 | C10 | 122.0° | 119.8° |
| C15 | C67 | H671 | 119.0° | 120.1° |
| C10 | C09 | C68 | 119.7° | 120.0° |
| C09 | C10 | C67 | 116.7° | 120.1° |
| C09 | C68 | C69 | 121.2° | 119.9° |
| C09 | C68 | H681 | 119.4° | 120.1° |
| C68 | C69 | N70 | 115.6° | 120.0° |
| C68 | C69 | C06 | 120.8° | 119.9° |
| C69 | C68 | H681 | 119.4° | 120.0° |
| C69 | N70 | C71 | 121.7° | 120.0° |
| N70 | C69 | C06 | 123.6° | 120.1° |
| C69 | N70 | H701 | 119.2° | 120.0° |
| N70 | C71 | O72 | 119.7° | 120.0° |
| N70 | C71 | C73 | 118.9° | 120.0° |
| C71 | N70 | H701 | 119.1° | 120.0° |
| O72 | C71 | C73 | 121.3° | 120.0° |
| C71 | C73 | C74 | 125.5° | 120.3° |
| C71 | C73 | C83 | 114.9° | 120.3° |
| F76 | C75 | F77 | 109.7° | 109.4° |
| F76 | C75 | F78 | 107.6° | 109.5° |
| F76 | C75 | C74 | 111.0° | 109.5° |
| F77 | C75 | F78 | 110.5° | 109.5° |
| F77 | C75 | C74 | 110.3° | 109.5° |
| F78 | C75 | C74 | 107.8° | 109.4° |
| C75 | C74 | C79 | 119.4° | 120.5° |
| C75 | C74 | C73 | 121.1° | 120.5° |
| C74 | C79 | C80 | 119.6° | 119.5° |
| C79 | C74 | C73 | 119.5° | 119.0° |
| C74 | C79 | H791 | 120.2° | 120.2° |
| C79 | C80 | O81 | 122.4° | 119.8° |
| C79 | C80 | N82 | 120.1° | 120.5° |
| C80 | C79 | H791 | 120.2° | 120.2° |
| O81 | C80 | N82 | 117.5° | 119.7° |
| C80 | N82 | C83 | 121.4° | 121.0° |
| C80 | N82 | H821 | 119.3° | 119.5° |
| C74 | C73 | C83 | 119.6° | 119.5° |
| C73 | C83 | N82 | 119.7° | 120.4° |
| C73 | C83 | H831 | 120.1° | 119.8° |
| C06 | N05 | C84 | 109.9° | 111.0° |
| N05 | C06 | C69 | 119.7° | 120.0° |
| N05 | C84 | C85 | 116.8° | 109.3° |
| N05 | C84 | H842 | 107.6° | 109.5° |
| N05 | C84 | H841 | 107.6° | 109.5° |
| C84 | C85 | C86 | 102.3° | 109.5° |
| C84 | C85 | N02 | 113.6° | 109.4° |
| C85 | C84 | H842 | 107.6° | 109.4° |
| C85 | C84 | H841 | 107.6° | 109.5° |
| C84 | C85 | H851 | 108.5° | 109.5° |
| C86 | C85 | N02 | 113.3° | 109.5° |
| C86 | C85 | H851 | 108.1° | 109.5° |
| C85 | C86 | H862 | 109.5° | 109.5° |
| C85 | C86 | H861 | 109.5° | 109.5° |
| C85 | C86 | H863 | 109.5° | 109.5° |
| C04 | C03 | C87 | 104.4° | 109.5° |
| C04 | C03 | H031 | 108.4° | 109.5° |
| C03 | C04 | H041 | 108.3° | 109.5° |
| C03 | C04 | H042 | 108.3° | 109.5° |
| C87 | C03 | H031 | 108.1° | 109.5° |
| C03 | C87 | H872 | 109.5° | 109.5° |
| C03 | C87 | H873 | 109.5° | 109.4° |
| C03 | C87 | H871 | 109.4° | 109.5° |
| N02 | C85 | H851 | 110.6° | 109.5° |
| C10 | C67 | H671 | 119.0° | 120.1° |
| C38 | N66 | H661 | 125.0° | 124.7° |
| C40 | C47 | H471 | 120.0° | 120.1° |
| C53 | C60 | H601 | 120.1° | 120.0° |
| N82 | C83 | H831 | 120.2° | 119.8° |
| C83 | N82 | H821 | 119.3° | 119.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.4° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H612 | C61 | H611 | 109.4° | 109.5° |
| H842 | C84 | H841 | 109.5° | 109.5° |
| H862 | C86 | H861 | 109.5° | 109.5° |
| H862 | C86 | H863 | 109.4° | 109.5° |
| H861 | C86 | H863 | 109.5° | 109.5° |
| H872 | C87 | H873 | 109.4° | 109.5° |
| H872 | C87 | H871 | 109.5° | 109.4° |
| H873 | C87 | H871 | 109.5° | 109.5° |
| H642 | N64 | H641 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C85 | 126.9° | 123.9° |
| C01 | N02 | C85 | C84 | 171.6° | 176.8° |
| C01 | N02 | C85 | C86 | 72.2° | 56.8° |
| C01 | N02 | C03 | C04 | 176.1° | 176.8° |
| C01 | N02 | C03 | C87 | 66.4° | 56.8° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 54.0° | 63.2° |
| C01 | N02 | C85 | H851 | 49.3° | 63.2° |
| N02 | C03 | C04 | N05 | 58.0° | 58.4° |
| C03 | N02 | C85 | C84 | 46.0° | 59.3° |
| C03 | N02 | C85 | C86 | 162.2° | 179.3° |
| N02 | C03 | C04 | C87 | 121.6° | 120.0° |
| N02 | C03 | C04 | H031 | 123.3° | 119.9° |
| N02 | C03 | C87 | H031 | 121.9° | 120.0° |
| C03 | N02 | C01 | H013 | 180.0° | 60.0° |
| C03 | N02 | C01 | H012 | 60.0° | 179.9° |
| C03 | N02 | C01 | H011 | 60.0° | 60.0° |
| N02 | C03 | C04 | H041 | 62.7° | 178.4° |
| N02 | C03 | C04 | H042 | 178.7° | 61.6° |
| C03 | N02 | C85 | H851 | 76.3° | 60.7° |
| N02 | C03 | C87 | H872 | 180.0° | 60.0° |
| N02 | C03 | C87 | H873 | 60.0° | 179.9° |
| N02 | C03 | C87 | H871 | 60.0° | 60.0° |
| C04 | N05 | C06 | C07 | 21.6° | 64.1° |
| C04 | N05 | C06 | C84 | 118.5° | 123.8° |
| C04 | N05 | C84 | C85 | 54.1° | 59.3° |
| N05 | C04 | C03 | H041 | 120.7° | 120.0° |
| N05 | C04 | C03 | H042 | 120.7° | 120.0° |
| N05 | C04 | C03 | C87 | 179.6° | 178.4° |
| C04 | N05 | C06 | C69 | 161.8° | 116.2° |
| N05 | C04 | C03 | H031 | 65.3° | 61.5° |
| N05 | C04 | H041 | H042 | 117.9° | 120.1° |
| C04 | N05 | C84 | H842 | 175.1° | 60.6° |
| C04 | N05 | C84 | H841 | 67.0° | 179.3° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.1° | 0.1° |
| C07 | C06 | C69 | C68 | 2.4° | 0.6° |
| C07 | C06 | C69 | N70 | 179.6° | 179.7° |
| C07 | C06 | N05 | C69 | 176.6° | 179.6° |
| C07 | C06 | N05 | C84 | 96.9° | 59.7° |
| C06 | C07 | C08 | H081 | 179.9° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 178.1° | 180.0° |
| C07 | C08 | C09 | C68 | 1.0° | 0.0° |
| C08 | C07 | C06 | N05 | 178.4° | 180.0° |
| C08 | C07 | C06 | C69 | 1.8° | 0.3° |
| C08 | C09 | C10 | C11 | 40.7° | 130.3° |
| C08 | C09 | C10 | C68 | 177.0° | 180.0° |
| C08 | C09 | C68 | C69 | 0.4° | 0.2° |
| C08 | C09 | C10 | C67 | 136.8° | 50.0° |
| C09 | C08 | C07 | H071 | 179.9° | 180.0° |
| C08 | C09 | C68 | H681 | 179.6° | 180.0° |
| C10 | C11 | F12 | C13 | 179.0° | 179.9° |
| C10 | C11 | C13 | C14 | 0.8° | 0.0° |
| C11 | C10 | C67 | C15 | 2.4° | 0.6° |
| C11 | C10 | C09 | C67 | 177.5° | 179.7° |
| C11 | C10 | C09 | C68 | 142.3° | 49.7° |
| C10 | C11 | C13 | H131 | 179.2° | 180.0° |
| C11 | C10 | C67 | H671 | 177.7° | 179.7° |
| F12 | C11 | C13 | C14 | 179.8° | 180.0° |
| F12 | C11 | C10 | C09 | 2.1° | 0.1° |
| F12 | C11 | C10 | C67 | 179.6° | 179.7° |
| F12 | C11 | C13 | H131 | 0.2° | 0.1° |
| C11 | C13 | C14 | H131 | 180.0° | 180.0° |
| C11 | C13 | C14 | C15 | 1.0° | 0.0° |
| C13 | C11 | C10 | C09 | 178.9° | 180.0° |
| C13 | C11 | C10 | C67 | 1.5° | 0.3° |
| C11 | C13 | C14 | H141 | 179.0° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 178.8° | 180.0° |
| C13 | C14 | C15 | C67 | 1.9° | 0.3° |
| C14 | C15 | C16 | O17 | 127.0° | 179.9° |
| C14 | C15 | C16 | N18 | 53.1° | 0.0° |
| C14 | C15 | C16 | C67 | 177.0° | 179.7° |
| C14 | C15 | C67 | C10 | 2.6° | 0.6° |
| C15 | C14 | C13 | H131 | 179.0° | 180.0° |
| C14 | C15 | C67 | H671 | 177.4° | 179.7° |
| O17 | C16 | N18 | C15 | 180.0° | 180.0° |
| O17 | C16 | N18 | C19 | 179.6° | 0.0° |
| O17 | C16 | C15 | C67 | 50.0° | 0.3° |
| O17 | C16 | N18 | H181 | 0.5° | 179.9° |
| C16 | N18 | C19 | H181 | 180.0° | 180.0° |
| C16 | N18 | C19 | C20 | 133.6° | 180.0° |
| N18 | C16 | C15 | C67 | 129.9° | 179.7° |
| C16 | N18 | C19 | H191 | 13.7° | 60.0° |
| C16 | N18 | C19 | H192 | 106.5° | 60.1° |
| N18 | C19 | C20 | H191 | 119.9° | 120.0° |
| N18 | C19 | C20 | H192 | 119.9° | 119.9° |
| N18 | C19 | C20 | O21 | 146.6° | 65.0° |
| C19 | N18 | C16 | C15 | 0.5° | 180.0° |
| N18 | C19 | H191 | H192 | 120.3° | 120.0° |
| N18 | C19 | C20 | H202 | 93.9° | 175.0° |
| N18 | C19 | C20 | H201 | 27.1° | 55.0° |
| C19 | C20 | O21 | H202 | 119.5° | 120.0° |
| C19 | C20 | O21 | H201 | 119.5° | 120.0° |
| C19 | C20 | O21 | C22 | 170.8° | 180.0° |
| C20 | C19 | H191 | H192 | 120.3° | 120.0° |
| C19 | C20 | H202 | H201 | 121.5° | 120.0° |
| C20 | C19 | N18 | H181 | 46.4° | 0.0° |
| C20 | O21 | C22 | C23 | 118.9° | 180.0° |
| O21 | C20 | C19 | H191 | 26.7° | 175.0° |
| O21 | C20 | C19 | H192 | 93.5° | 54.9° |
| O21 | C20 | H202 | H201 | 121.5° | 120.0° |
| C20 | O21 | C22 | H222 | 0.5° | 60.0° |
| C20 | O21 | C22 | H221 | 121.6° | 60.0° |
| O21 | C22 | C23 | H222 | 119.5° | 119.9° |
| O21 | C22 | C23 | H221 | 119.5° | 120.0° |
| O21 | C22 | C23 | O24 | 79.9° | 65.0° |
| C22 | O21 | C20 | H202 | 69.8° | 60.0° |
| C22 | O21 | C20 | H201 | 51.2° | 60.0° |
| O21 | C22 | H222 | H221 | 121.6° | 120.0° |
| O21 | C22 | C23 | H232 | 160.6° | 175.0° |
| O21 | C22 | C23 | H231 | 39.5° | 55.0° |
| C22 | C23 | O24 | H232 | 119.5° | 120.0° |
| C22 | C23 | O24 | H231 | 119.5° | 120.0° |
| C22 | C23 | O24 | C25 | 93.8° | 180.0° |
| C23 | C22 | H222 | H221 | 121.5° | 120.1° |
| C22 | C23 | H232 | H231 | 121.6° | 120.0° |
| C23 | O24 | C25 | C26 | 111.0° | 180.0° |
| O24 | C23 | C22 | H222 | 39.6° | 175.1° |
| O24 | C23 | C22 | H221 | 160.6° | 55.0° |
| O24 | C23 | H232 | H231 | 121.5° | 120.0° |
| C23 | O24 | C25 | H252 | 129.1° | 60.0° |
| C23 | O24 | C25 | H251 | 8.9° | 60.0° |
| O24 | C25 | C26 | H252 | 119.9° | 120.0° |
| O24 | C25 | C26 | H251 | 119.8° | 120.0° |
| O24 | C25 | C26 | O27 | 21.6° | 65.0° |
| C25 | O24 | C23 | H232 | 25.6° | 60.0° |
| C25 | O24 | C23 | H231 | 146.7° | 60.0° |
| O24 | C25 | H252 | H251 | 120.4° | 120.0° |
| O24 | C25 | C26 | H262 | 98.3° | 175.0° |
| O24 | C25 | C26 | H261 | 141.5° | 55.0° |
| C25 | C26 | O27 | H262 | 119.9° | 120.0° |
| C25 | C26 | O27 | H261 | 119.9° | 120.0° |
| C25 | C26 | O27 | C28 | 98.7° | 180.0° |
| C26 | C25 | H252 | H251 | 120.4° | 120.0° |
| C25 | C26 | H262 | H261 | 120.3° | 119.9° |
| C26 | O27 | C28 | C29 | 99.5° | 180.0° |
| O27 | C26 | C25 | H252 | 141.5° | 175.0° |
| O27 | C26 | C25 | H251 | 98.3° | 55.0° |
| O27 | C26 | H262 | H261 | 120.3° | 120.0° |
| C26 | O27 | C28 | H282 | 20.2° | 60.0° |
| C26 | O27 | C28 | H281 | 140.9° | 60.0° |
| O27 | C28 | C29 | H282 | 119.6° | 120.0° |
| O27 | C28 | C29 | H281 | 119.6° | 120.0° |
| O27 | C28 | C29 | O30 | 107.5° | 64.9° |
| C28 | O27 | C26 | H262 | 141.5° | 60.0° |
| C28 | O27 | C26 | H261 | 21.2° | 60.0° |
| O27 | C28 | H282 | H281 | 121.1° | 120.0° |
| O27 | C28 | C29 | H291 | 132.6° | 175.0° |
| O27 | C28 | C29 | H292 | 12.4° | 55.0° |
| C28 | C29 | O30 | H291 | 119.9° | 120.0° |
| C28 | C29 | O30 | H292 | 119.9° | 119.9° |
| C28 | C29 | O30 | C31 | 109.6° | 180.0° |
| C29 | C28 | H282 | H281 | 121.1° | 120.0° |
| C28 | C29 | H291 | H292 | 120.2° | 119.9° |
| C29 | O30 | C31 | C32 | 77.2° | 180.0° |
| O30 | C29 | C28 | H282 | 12.1° | 175.0° |
| O30 | C29 | C28 | H281 | 132.8° | 55.0° |
| O30 | C29 | H291 | H292 | 120.3° | 120.0° |
| C29 | O30 | C31 | H312 | 42.9° | 60.1° |
| C29 | O30 | C31 | H311 | 162.8° | 60.0° |
| O30 | C31 | C32 | H312 | 120.1° | 120.0° |
| O30 | C31 | C32 | H311 | 120.1° | 120.0° |
| O30 | C31 | C32 | N33 | 134.8° | 65.0° |
| C31 | O30 | C29 | H291 | 130.5° | 60.0° |
| C31 | O30 | C29 | H292 | 10.4° | 60.1° |
| O30 | C31 | H312 | H311 | 119.9° | 120.1° |
| O30 | C31 | C32 | H321 | 14.7° | 175.0° |
| O30 | C31 | C32 | H322 | 105.0° | 55.0° |
| C31 | C32 | N33 | H321 | 120.2° | 120.0° |
| C31 | C32 | N33 | H322 | 120.1° | 120.0° |
| C31 | C32 | N33 | C34 | 91.3° | 180.0° |
| C32 | C31 | H312 | H311 | 119.8° | 120.0° |
| C31 | C32 | H321 | H322 | 119.6° | 120.0° |
| C31 | C32 | N33 | H331 | 88.7° | 0.1° |
| C32 | N33 | C34 | H331 | 180.0° | 179.9° |
| C32 | N33 | C34 | O35 | 0.3° | 0.1° |
| C32 | N33 | C34 | C36 | 179.5° | 180.0° |
| N33 | C32 | C31 | H312 | 105.1° | 175.0° |
| N33 | C32 | C31 | H311 | 14.8° | 55.0° |
| N33 | C32 | H321 | H322 | 119.5° | 120.0° |
| N33 | C34 | O35 | C36 | 179.2° | 179.9° |
| N33 | C34 | C36 | C37 | 136.8° | 180.0° |
| C34 | N33 | C32 | H321 | 28.9° | 60.1° |
| C34 | N33 | C32 | H322 | 148.6° | 60.0° |
| N33 | C34 | C36 | H361 | 43.2° | 0.0° |
| O35 | C34 | C36 | C37 | 44.0° | 0.0° |
| O35 | C34 | C36 | H361 | 136.0° | 180.0° |
| O35 | C34 | N33 | H331 | 179.7° | 180.0° |
| C34 | C36 | C37 | H361 | 180.0° | 180.0° |
| C34 | C36 | C37 | C38 | 179.9° | 180.0° |
| C34 | C36 | C37 | H371 | 0.2° | 0.0° |
| C36 | C34 | N33 | H331 | 0.5° | 0.1° |
| C36 | C37 | C38 | H371 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 70.9° | 179.7° |
| C36 | C37 | C38 | N66 | 108.4° | 0.0° |
| C37 | C38 | C39 | N66 | 179.4° | 179.8° |
| C37 | C38 | C39 | C40 | 1.3° | 0.0° |
| C37 | C38 | C39 | C48 | 179.1° | 180.0° |
| C37 | C38 | N66 | C65 | 179.6° | 179.9° |
| C38 | C37 | C36 | H361 | 0.1° | 0.0° |
| C37 | C38 | N66 | H661 | 0.4° | 0.0° |
| C38 | C39 | C40 | C41 | 110.4° | 89.8° |
| C38 | C39 | C40 | C48 | 179.5° | 180.0° |
| C38 | C39 | C48 | C49 | 178.0° | 180.0° |
| C38 | C39 | C48 | C65 | 0.6° | 0.0° |
| C39 | C38 | N66 | C65 | 0.2° | 0.4° |
| C38 | C39 | C40 | C47 | 70.6° | 90.0° |
| C39 | C38 | C37 | H371 | 109.0° | 0.3° |
| C39 | C38 | N66 | H661 | 179.8° | 179.7° |
| C40 | C41 | F42 | C43 | 180.0° | 180.0° |
| C40 | C41 | C43 | C44 | 0.0° | 0.0° |
| C41 | C40 | C47 | C46 | 0.5° | 0.6° |
| C41 | C40 | C39 | C47 | 179.0° | 179.7° |
| C41 | C40 | C39 | C48 | 70.1° | 90.3° |
| C40 | C41 | C43 | H431 | 180.0° | 180.0° |
| C41 | C40 | C47 | H471 | 179.5° | 179.7° |
| F42 | C41 | C43 | C44 | 180.0° | 180.0° |
| F42 | C41 | C40 | C39 | 0.6° | 0.0° |
| F42 | C41 | C40 | C47 | 179.6° | 179.7° |
| F42 | C41 | C43 | H431 | 0.0° | 0.0° |
| C41 | C43 | C44 | H431 | 180.0° | 179.9° |
| C41 | C43 | C44 | CL45 | 180.0° | 180.0° |
| C41 | C43 | C44 | C46 | 0.3° | 0.0° |
| C43 | C41 | C40 | C39 | 179.4° | 180.0° |
| C43 | C41 | C40 | C47 | 0.4° | 0.2° |
| C43 | C44 | CL45 | C46 | 179.7° | 179.9° |
| C43 | C44 | C46 | C47 | 0.2° | 0.4° |
| C43 | C44 | C46 | H461 | 179.8° | 180.0° |
| CL45 | C44 | C46 | C47 | 179.9° | 179.7° |
| CL45 | C44 | C43 | H431 | 0.0° | 0.0° |
| CL45 | C44 | C46 | H461 | 0.2° | 0.0° |
| C44 | C46 | C47 | H461 | 180.0° | 179.7° |
| C44 | C46 | C47 | C40 | 0.2° | 0.7° |
| C46 | C44 | C43 | H431 | 179.7° | 179.9° |
| C44 | C46 | C47 | H471 | 179.8° | 179.6° |
| C46 | C47 | C40 | C39 | 179.5° | 179.7° |
| C46 | C47 | C40 | H471 | 180.0° | 179.7° |
| C40 | C39 | C48 | C49 | 1.6° | 0.0° |
| C40 | C39 | C48 | C65 | 179.0° | 180.0° |
| C40 | C39 | C38 | N66 | 179.4° | 179.8° |
| C39 | C40 | C47 | H471 | 0.5° | 0.1° |
| C39 | C48 | C49 | O50 | 4.6° | 0.0° |
| C39 | C48 | C49 | N51 | 177.5° | 180.0° |
| C39 | C48 | C49 | C65 | 176.9° | 180.0° |
| C39 | C48 | C65 | N66 | 0.7° | 0.2° |
| C48 | C39 | C38 | N66 | 0.2° | 0.2° |
| C48 | C39 | C40 | C47 | 108.9° | 90.0° |
| C39 | C48 | C65 | H651 | 179.3° | 180.0° |
| O50 | C49 | N51 | C48 | 177.9° | 180.0° |
| O50 | C49 | N51 | C52 | 0.8° | 4.7° |
| O50 | C49 | C48 | C65 | 172.3° | 180.0° |
| O50 | C49 | N51 | H511 | 179.2° | 175.3° |
| C49 | N51 | C52 | H511 | 180.0° | 179.9° |
| C49 | N51 | C52 | C53 | 97.6° | 81.6° |
| C49 | N51 | C52 | C61 | 145.3° | 158.4° |
| N51 | C49 | C48 | C65 | 5.6° | 0.0° |
| C49 | N51 | C52 | H521 | 23.8° | 38.4° |
| N51 | C52 | C53 | C54 | 161.4° | 39.7° |
| N51 | C52 | C53 | C61 | 117.3° | 120.0° |
| N51 | C52 | C53 | H521 | 122.1° | 120.0° |
| N51 | C52 | C61 | H521 | 122.0° | 120.0° |
| N51 | C52 | C61 | C62 | 57.6° | 64.7° |
| C52 | N51 | C49 | C48 | 177.1° | 175.3° |
| N51 | C52 | C53 | C60 | 19.4° | 140.0° |
| N51 | C52 | C61 | H612 | 63.1° | 55.4° |
| N51 | C52 | C61 | H611 | 178.4° | 175.3° |
| C53 | C54 | C55 | H541 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.1° | 0.0° |
| C54 | C53 | C60 | C58 | 0.2° | 0.5° |
| C54 | C53 | C52 | C60 | 179.2° | 179.7° |
| C54 | C53 | C52 | C61 | 81.2° | 80.3° |
| C54 | C53 | C52 | H521 | 39.3° | 159.7° |
| C53 | C54 | C55 | H551 | 179.9° | 179.9° |
| C54 | C53 | C60 | H601 | 179.8° | 179.7° |
| C54 | C55 | C56 | H551 | 180.0° | 180.0° |
| C54 | C55 | C56 | F57 | 179.9° | 180.0° |
| C54 | C55 | C56 | C58 | 0.1° | 0.0° |
| C55 | C54 | C53 | C52 | 179.3° | 180.0° |
| C55 | C54 | C53 | C60 | 0.1° | 0.3° |
| C55 | C56 | F57 | C58 | 179.7° | 180.0° |
| C55 | C56 | C58 | CL59 | 180.0° | 180.0° |
| C55 | C56 | C58 | C60 | 0.0° | 0.2° |
| C56 | C55 | C54 | H541 | 179.9° | 180.0° |
| F57 | C56 | C58 | CL59 | 0.3° | 0.0° |
| F57 | C56 | C58 | C60 | 179.7° | 179.8° |
| F57 | C56 | C55 | H551 | 0.1° | 0.0° |
| C56 | C58 | CL59 | C60 | 180.0° | 179.8° |
| C56 | C58 | C60 | C53 | 0.1° | 0.5° |
| C58 | C56 | C55 | H551 | 179.9° | 180.0° |
| C56 | C58 | C60 | H601 | 179.8° | 179.7° |
| CL59 | C58 | C60 | C53 | 179.8° | 179.8° |
| CL59 | C58 | C60 | H601 | 0.2° | 0.0° |
| C58 | C60 | C53 | C52 | 179.4° | 179.8° |
| C58 | C60 | C53 | H601 | 180.0° | 179.8° |
| C53 | C52 | C61 | H521 | 120.4° | 120.0° |
| C53 | C52 | C61 | C62 | 175.2° | 175.3° |
| C52 | C53 | C54 | H541 | 0.8° | 0.0° |
| C52 | C53 | C60 | H601 | 0.6° | 0.0° |
| C53 | C52 | C61 | H612 | 54.4° | 64.6° |
| C53 | C52 | C61 | H611 | 64.1° | 55.3° |
| C53 | C52 | N51 | H511 | 82.4° | 98.5° |
| C52 | C61 | C62 | H612 | 120.8° | 120.0° |
| C52 | C61 | C62 | H611 | 120.8° | 120.0° |
| C52 | C61 | C62 | O63 | 71.3° | 5.6° |
| C52 | C61 | C62 | N64 | 108.0° | 174.4° |
| C61 | C52 | C53 | C60 | 98.0° | 100.0° |
| C52 | C61 | H612 | H611 | 117.7° | 119.9° |
| C61 | C52 | N51 | H511 | 34.7° | 21.5° |
| C61 | C62 | O63 | N64 | 179.2° | 180.0° |
| C62 | C61 | C52 | H521 | 64.4° | 55.3° |
| C62 | C61 | H612 | H611 | 117.6° | 120.0° |
| C61 | C62 | N64 | H642 | 179.2° | 0.0° |
| C61 | C62 | N64 | H641 | 0.8° | 180.0° |
| O63 | C62 | C61 | H612 | 168.0° | 125.6° |
| O63 | C62 | C61 | H611 | 49.5° | 114.4° |
| O63 | C62 | N64 | H642 | 0.0° | 180.0° |
| O63 | C62 | N64 | H641 | 180.0° | 0.1° |
| N64 | C62 | C61 | H612 | 12.8° | 54.4° |
| N64 | C62 | C61 | H611 | 131.2° | 65.6° |
| C62 | N64 | H642 | H641 | 180.0° | 179.9° |
| C49 | C48 | C65 | N66 | 178.2° | 179.8° |
| C49 | C48 | C65 | H651 | 1.9° | 0.0° |
| C48 | C49 | N51 | H511 | 2.9° | 4.8° |
| C48 | C65 | N66 | H651 | 180.0° | 179.8° |
| C48 | C65 | N66 | C38 | 0.6° | 0.4° |
| C48 | C65 | N66 | H661 | 179.4° | 179.7° |
| C65 | N66 | C38 | H661 | 180.0° | 179.9° |
| C16 | C15 | C67 | C10 | 179.7° | 179.7° |
| C16 | C15 | C14 | H141 | 1.2° | 0.0° |
| C16 | C15 | C67 | H671 | 0.3° | 0.1° |
| C15 | C16 | N18 | H181 | 179.5° | 0.0° |
| C15 | C67 | C10 | C09 | 180.0° | 179.7° |
| C15 | C67 | C10 | H671 | 180.0° | 179.7° |
| C67 | C15 | C14 | H141 | 178.1° | 179.7° |
| C10 | C09 | C68 | C69 | 177.6° | 179.7° |
| C10 | C09 | C08 | H081 | 1.9° | 0.0° |
| C09 | C10 | C67 | H671 | 0.0° | 0.0° |
| C10 | C09 | C68 | H681 | 2.5° | 0.0° |
| C09 | C68 | C69 | H681 | 180.0° | 179.8° |
| C09 | C68 | C69 | N70 | 178.7° | 179.7° |
| C09 | C68 | C69 | C06 | 1.3° | 0.5° |
| C68 | C09 | C10 | C67 | 40.2° | 130.0° |
| C68 | C09 | C08 | H081 | 179.0° | 180.0° |
| C68 | C69 | N70 | C06 | 177.3° | 179.7° |
| C68 | C69 | N70 | C71 | 68.8° | 19.4° |
| C68 | C69 | C06 | N05 | 179.1° | 179.8° |
| C68 | C69 | N70 | H701 | 111.2° | 160.7° |
| C69 | N70 | C71 | H701 | 180.0° | 180.0° |
| C69 | N70 | C71 | O72 | 0.8° | 4.5° |
| C69 | N70 | C71 | C73 | 177.7° | 175.4° |
| N70 | C69 | C06 | N05 | 3.7° | 0.0° |
| N70 | C69 | C68 | H681 | 1.3° | 0.0° |
| N70 | C71 | O72 | C73 | 178.4° | 179.9° |
| N70 | C71 | C73 | C74 | 131.6° | 174.8° |
| N70 | C71 | C73 | C83 | 49.1° | 4.8° |
| C71 | N70 | C69 | C06 | 113.9° | 160.9° |
| O72 | C71 | C73 | C74 | 50.0° | 5.3° |
| O72 | C71 | C73 | C83 | 129.3° | 175.1° |
| O72 | C71 | N70 | H701 | 179.2° | 175.5° |
| C71 | C73 | C74 | C75 | 0.2° | 0.1° |
| C71 | C73 | C74 | C79 | 179.6° | 180.0° |
| C71 | C73 | C74 | C83 | 179.2° | 179.6° |
| C71 | C73 | C83 | N82 | 179.6° | 179.8° |
| C71 | C73 | C83 | H831 | 0.4° | 0.1° |
| C73 | C71 | N70 | H701 | 2.3° | 4.6° |
| F76 | C75 | F77 | F78 | 118.4° | 120.0° |
| F76 | C75 | F77 | C74 | 122.5° | 120.0° |
| F76 | C75 | F78 | C74 | 119.7° | 120.0° |
| F76 | C75 | C74 | C79 | 6.6° | 1.0° |
| F76 | C75 | C74 | C73 | 174.0° | 179.1° |
| F77 | C75 | F78 | C74 | 120.6° | 120.0° |
| F77 | C75 | C74 | C79 | 128.4° | 119.0° |
| F77 | C75 | C74 | C73 | 52.2° | 60.9° |
| F78 | C75 | C74 | C79 | 110.9° | 121.0° |
| F78 | C75 | C74 | C73 | 68.5° | 59.0° |
| C75 | C74 | C79 | C73 | 179.4° | 179.9° |
| C75 | C74 | C79 | C80 | 179.6° | 180.0° |
| C75 | C74 | C73 | C83 | 179.0° | 179.7° |
| C75 | C74 | C79 | H791 | 0.4° | 0.0° |
| C74 | C79 | C80 | H791 | 180.0° | 180.0° |
| C74 | C79 | C80 | O81 | 179.8° | 180.0° |
| C74 | C79 | C80 | N82 | 0.1° | 0.0° |
| C79 | C74 | C73 | C83 | 0.4° | 0.3° |
| C79 | C80 | O81 | N82 | 179.9° | 179.9° |
| C80 | C79 | C74 | C73 | 0.2° | 0.0° |
| C79 | C80 | N82 | C83 | 0.6° | 0.2° |
| C79 | C80 | N82 | H821 | 179.4° | 180.0° |
| O81 | C80 | N82 | C83 | 179.5° | 179.7° |
| O81 | C80 | C79 | H791 | 0.3° | 0.1° |
| O81 | C80 | N82 | H821 | 0.5° | 0.1° |
| C80 | N82 | C83 | C73 | 1.2° | 0.5° |
| C80 | N82 | C83 | H821 | 180.0° | 179.8° |
| N82 | C80 | C79 | H791 | 179.9° | 180.0° |
| C80 | N82 | C83 | H831 | 178.8° | 179.7° |
| C74 | C73 | C83 | N82 | 1.1° | 0.6° |
| C73 | C74 | C79 | H791 | 179.8° | 179.9° |
| C74 | C73 | C83 | H831 | 178.9° | 179.7° |
| C73 | C83 | N82 | H831 | 180.0° | 179.8° |
| C73 | C83 | N82 | H821 | 178.8° | 179.7° |
| C06 | N05 | C84 | C85 | 177.2° | 176.8° |
| C06 | N05 | C04 | C03 | 178.1° | 176.8° |
| C06 | N05 | C04 | H041 | 57.4° | 56.8° |
| C06 | N05 | C04 | H042 | 61.2° | 63.2° |
| N05 | C06 | C07 | H071 | 1.6° | 0.1° |
| C06 | N05 | C84 | H842 | 56.1° | 63.3° |
| C06 | N05 | C84 | H841 | 61.8° | 56.8° |
| N05 | C84 | C85 | H842 | 121.1° | 119.9° |
| N05 | C84 | C85 | H841 | 121.1° | 120.0° |
| N05 | C84 | C85 | C86 | 174.7° | 178.4° |
| C84 | N05 | C04 | C03 | 55.9° | 59.4° |
| N05 | C84 | C85 | N02 | 52.1° | 58.4° |
| C84 | N05 | C06 | C69 | 79.7° | 120.0° |
| C84 | N05 | C04 | H041 | 64.8° | 179.3° |
| C84 | N05 | C04 | H042 | 176.6° | 60.6° |
| N05 | C84 | H842 | H841 | 116.7° | 120.1° |
| N05 | C84 | C85 | H851 | 71.3° | 61.6° |
| C84 | C85 | C86 | N02 | 122.7° | 120.0° |
| C84 | C85 | C86 | H851 | 114.3° | 120.0° |
| C84 | C85 | N02 | H851 | 122.3° | 120.0° |
| C85 | C84 | H842 | H841 | 116.7° | 120.1° |
| C84 | C85 | C86 | H862 | 180.0° | 60.0° |
| C84 | C85 | C86 | H861 | 60.0° | 180.0° |
| C84 | C85 | C86 | H863 | 60.0° | 60.0° |
| C86 | C85 | N02 | H851 | 121.5° | 120.0° |
| C86 | C85 | C84 | H842 | 64.3° | 58.5° |
| C86 | C85 | C84 | H841 | 53.6° | 61.6° |
| C85 | C86 | H862 | H861 | 120.0° | 120.0° |
| C85 | C86 | H862 | H863 | 120.0° | 120.0° |
| C85 | C86 | H861 | H863 | 120.0° | 120.0° |
| C04 | C03 | C87 | H031 | 115.2° | 120.1° |
| C04 | C03 | N02 | C85 | 49.2° | 59.2° |
| C03 | C04 | H041 | H042 | 117.9° | 120.0° |
| C04 | C03 | C87 | H872 | 57.1° | 59.9° |
| C04 | C03 | C87 | H873 | 177.1° | 60.1° |
| C04 | C03 | C87 | H871 | 62.9° | 179.9° |
| C87 | C03 | N02 | C85 | 166.7° | 179.3° |
| C87 | C03 | C04 | H041 | 59.0° | 61.6° |
| C87 | C03 | C04 | H042 | 59.7° | 58.4° |
| C03 | C87 | H872 | H873 | 120.0° | 120.0° |
| C03 | C87 | H872 | H871 | 120.0° | 120.0° |
| C03 | C87 | H873 | H871 | 120.0° | 120.0° |
| C85 | N02 | C01 | H013 | 53.3° | 63.8° |
| C85 | N02 | C01 | H012 | 173.3° | 56.2° |
| C85 | N02 | C01 | H011 | 66.7° | 176.2° |
| C85 | N02 | C03 | H031 | 72.9° | 60.7° |
| N02 | C85 | C84 | H842 | 173.2° | 61.5° |
| N02 | C85 | C84 | H841 | 68.9° | 178.4° |
| N02 | C85 | C86 | H862 | 57.3° | 59.9° |
| N02 | C85 | C86 | H861 | 177.3° | 60.1° |
| N02 | C85 | C86 | H863 | 62.7° | 179.9° |
| C69 | C06 | C07 | H071 | 178.2° | 179.8° |
| C06 | C69 | C68 | H681 | 178.7° | 179.7° |
| C06 | C69 | N70 | H701 | 66.1° | 19.1° |
| N66 | C38 | C37 | H371 | 71.7° | 180.0° |
| C38 | N66 | C65 | H651 | 179.4° | 179.8° |
| C40 | C47 | C46 | H461 | 179.8° | 179.7° |
| C60 | C53 | C52 | H521 | 141.5° | 20.0° |
| C60 | C53 | C54 | H541 | 180.0° | 179.8° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 174.0° | 58.5° |
| H031 | C03 | C04 | H042 | 55.4° | 178.5° |
| H031 | C03 | C87 | H872 | 58.1° | 180.0° |
| H031 | C03 | C87 | H873 | 61.9° | 60.0° |
| H031 | C03 | C87 | H871 | 178.1° | 60.0° |
| H071 | C07 | C08 | H081 | 0.1° | 0.1° |
| H131 | C13 | C14 | H141 | 1.0° | 0.0° |
| H191 | C19 | C20 | H202 | 146.2° | 55.1° |
| H191 | C19 | C20 | H201 | 92.8° | 65.0° |
| H191 | C19 | N18 | H181 | 166.3° | 120.0° |
| H192 | C19 | C20 | H202 | 26.0° | 65.0° |
| H192 | C19 | C20 | H201 | 147.0° | 174.9° |
| H192 | C19 | N18 | H181 | 73.5° | 119.9° |
| H222 | C22 | C23 | H232 | 79.9° | 55.0° |
| H222 | C22 | C23 | H231 | 159.0° | 64.9° |
| H221 | C22 | C23 | H232 | 41.2° | 65.0° |
| H221 | C22 | C23 | H231 | 79.9° | 175.0° |
| H252 | C25 | C26 | H262 | 21.6° | 55.0° |
| H252 | C25 | C26 | H261 | 98.6° | 65.0° |
| H251 | C25 | C26 | H262 | 141.9° | 65.1° |
| H251 | C25 | C26 | H261 | 21.7° | 175.0° |
| H282 | C28 | C29 | H291 | 107.8° | 55.0° |
| H282 | C28 | C29 | H292 | 132.1° | 65.0° |
| H281 | C28 | C29 | H291 | 12.9° | 65.0° |
| H281 | C28 | C29 | H292 | 107.2° | 175.0° |
| H312 | C31 | C32 | H321 | 134.7° | 55.0° |
| H312 | C31 | C32 | H322 | 15.0° | 65.0° |
| H311 | C31 | C32 | H321 | 105.4° | 65.0° |
| H311 | C31 | C32 | H322 | 134.9° | 175.0° |
| H321 | C32 | N33 | H331 | 151.1° | 120.0° |
| H322 | C32 | N33 | H331 | 31.5° | 119.9° |
| H361 | C36 | C37 | H371 | 179.8° | 180.0° |
| H461 | C46 | C47 | H471 | 0.2° | 0.0° |
| H521 | C52 | C61 | H612 | 174.8° | 175.4° |
| H521 | C52 | C61 | H611 | 56.3° | 64.7° |
| H521 | C52 | N51 | H511 | 156.2° | 141.5° |
| H541 | C54 | C55 | H551 | 0.1° | 0.0° |
| H651 | C65 | N66 | H661 | 0.6° | 0.1° |
| H831 | C83 | N82 | H821 | 1.2° | 0.1° |
| H842 | C84 | C85 | H851 | 49.7° | 178.4° |
| H841 | C84 | C85 | H851 | 167.6° | 58.4° |
| H851 | C85 | C86 | H862 | 65.7° | 180.0° |
| H851 | C85 | C86 | H861 | 54.3° | 60.0° |
| H851 | C85 | C86 | H863 | 174.3° | 60.0° |
| H862 | C86 | H861 | H863 | 120.0° | 120.0° |
| H872 | C87 | H873 | H871 | 120.0° | 120.0° |
