1I7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C54 | C48 | sing | 1.53Å | 1.52Å | |
| C48 | N17 | sing | 1.48Å | 1.46Å | |
| C48 | C49 | sing | 1.50Å | 1.50Å | |
| O08 | C56 | doub | 1.21Å | 1.23Å | |
| C59 | N19 | sing | 1.46Å | 1.50Å | |
| C56 | N17 | sing | 1.37Å | 1.52Å | |
| C56 | C55 | sing | 1.51Å | 1.62Å | |
| S01 | C49 | sing | 1.71Å | 1.59Å | Aromatic |
| S01 | C50 | sing | 1.71Å | 1.58Å | Aromatic |
| C49 | N16 | doub | 1.29Å | 1.40Å | Aromatic |
| C47 | C53 | sing | 1.53Å | 1.53Å | |
| C47 | C45 | sing | 1.52Å | 1.54Å | |
| C55 | N19 | sing | 1.48Å | 1.46Å | |
| O07 | C51 | doub | 1.22Å | 1.18Å | |
| N19 | C58 | sing | 1.36Å | 1.46Å | |
| N16 | C44 | sing | 1.33Å | 1.57Å | Aromatic |
| C50 | C44 | doub | 1.35Å | 1.46Å | Aromatic |
| C45 | C51 | sing | 1.51Å | 1.52Å | |
| C45 | N15 | sing | 1.48Å | 1.46Å | |
| C51 | N18 | sing | 1.36Å | 1.44Å | |
| C44 | C39 | sing | 1.48Å | 1.50Å | |
| C58 | C57 | sing | 1.46Å | 1.52Å | |
| C58 | O09 | doub | 1.22Å | 1.20Å | |
| N18 | C57 | sing | 1.43Å | 1.29Å | |
| C57 | C60 | doub | 1.34Å | 1.18Å | |
| N15 | C46 | sing | 1.36Å | 1.46Å | |
| C39 | O05 | doub | 1.21Å | 1.18Å | |
| C39 | N11 | sing | 1.37Å | 1.45Å | |
| O06 | C46 | doub | 1.21Å | 1.18Å | |
| O02 | C27 | doub | 1.21Å | 1.19Å | |
| C46 | C40 | sing | 1.51Å | 1.52Å | |
| N11 | C22 | sing | 1.48Å | 1.44Å | |
| C27 | C22 | sing | 1.51Å | 1.53Å | |
| C27 | N10 | sing | 1.36Å | 1.46Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C33 | N13 | sing | 1.37Å | 1.36Å | Aromatic |
| C33 | C25 | doub | 1.34Å | 1.35Å | Aromatic |
| C40 | N14 | sing | 1.48Å | 1.44Å | |
| N14 | C30 | sing | 1.37Å | 1.44Å | |
| N13 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| O04 | C30 | doub | 1.21Å | 1.18Å | |
| C30 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | N10 | sing | 1.47Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C25 | C23 | sing | 1.51Å | 1.52Å | |
| C25 | C28 | sing | 1.46Å | 1.44Å | Aromatic |
| C32 | C28 | doub | 1.41Å | 1.42Å | Aromatic |
| C32 | C38 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C24 | sing | 1.51Å | 1.54Å | |
| C28 | C36 | sing | 1.40Å | 1.36Å | Aromatic |
| C38 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C42 | doub | 1.37Å | 1.39Å | Aromatic |
| C52 | O03 | sing | 1.43Å | 1.40Å | |
| C43 | C42 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C31 | doub | 1.34Å | 1.35Å | Aromatic |
| C24 | C26 | sing | 1.46Å | 1.46Å | Aromatic |
| O03 | C34 | sing | 1.36Å | 1.36Å | |
| C31 | N12 | sing | 1.37Å | 1.35Å | Aromatic |
| C26 | C34 | doub | 1.40Å | 1.38Å | Aromatic |
| C26 | C29 | sing | 1.41Å | 1.44Å | Aromatic |
| C34 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| N12 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C35 | doub | 1.39Å | 1.35Å | Aromatic |
| C37 | C41 | doub | 1.39Å | 1.41Å | Aromatic |
| C35 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C52 | H523 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C59 | H593 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.08Å | 1.08Å | |
| C60 | H2 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.98Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.96Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.98Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C54 | C48 | N17 | 106.5° | 109.8° |
| C54 | C48 | C49 | 105.6° | 109.2° |
| C54 | C48 | H481 | 109.4° | 109.9° |
| C48 | C54 | H543 | 109.5° | 109.4° |
| C48 | C54 | H542 | 109.5° | 109.5° |
| C48 | C54 | H541 | 109.4° | 109.5° |
| N17 | C48 | C49 | 115.1° | 108.1° |
| C48 | N17 | C56 | 124.0° | 116.8° |
| N17 | C48 | H481 | 110.3° | 109.8° |
| C48 | N17 | H171 | 118.0° | 121.9° |
| C48 | C49 | S01 | 125.4° | 125.3° |
| C48 | C49 | N16 | 125.0° | 124.3° |
| C49 | C48 | H481 | 109.7° | 110.1° |
| O08 | C56 | N17 | 112.9° | 121.0° |
| O08 | C56 | C55 | 124.8° | 120.5° |
| C59 | N19 | C55 | 116.3° | 122.0° |
| C59 | N19 | C58 | 124.0° | 123.1° |
| N19 | C59 | H592 | 109.5° | 109.5° |
| N19 | C59 | H593 | 109.5° | 109.4° |
| N19 | C59 | H591 | 109.5° | 109.5° |
| N17 | C56 | C55 | 122.3° | 118.5° |
| C56 | N17 | H171 | 118.0° | 121.3° |
| C56 | C55 | N19 | 97.3° | 110.8° |
| C56 | C55 | H552 | 112.4° | 109.6° |
| C56 | C55 | H551 | 112.4° | 109.0° |
| C49 | S01 | C50 | 105.9° | 91.1° |
| S01 | C49 | N16 | 109.6° | 110.4° |
| S01 | C50 | C44 | 105.4° | 108.7° |
| S01 | C50 | H501 | 127.3° | 125.5° |
| C49 | N16 | C44 | 107.9° | 115.9° |
| C53 | C47 | C45 | 111.9° | 109.4° |
| C53 | C47 | H472 | 108.9° | 109.5° |
| C53 | C47 | H471 | 108.9° | 109.4° |
| C47 | C53 | H532 | 109.5° | 109.4° |
| C47 | C53 | H533 | 109.4° | 109.5° |
| C47 | C53 | H531 | 109.5° | 109.5° |
| C47 | C45 | C51 | 110.2° | 110.4° |
| C47 | C45 | N15 | 106.8° | 110.0° |
| C47 | C45 | H451 | 110.1° | 108.9° |
| C45 | C47 | H472 | 108.9° | 109.5° |
| C45 | C47 | H471 | 108.8° | 109.5° |
| C55 | N19 | C58 | 119.5° | 114.8° |
| N19 | C55 | H552 | 112.4° | 109.1° |
| N19 | C55 | H551 | 112.4° | 109.3° |
| O07 | C51 | C45 | 120.6° | 118.0° |
| O07 | C51 | N18 | 122.1° | 120.9° |
| N19 | C58 | C57 | 121.2° | 122.7° |
| N19 | C58 | O09 | 120.0° | 117.0° |
| N16 | C44 | C50 | 111.2° | 113.8° |
| N16 | C44 | C39 | 121.2° | 122.6° |
| C50 | C44 | C39 | 127.6° | 123.5° |
| C44 | C50 | H501 | 127.3° | 125.8° |
| C51 | C45 | N15 | 108.3° | 109.0° |
| C45 | C51 | N18 | 117.2° | 121.2° |
| C51 | C45 | H451 | 110.2° | 109.0° |
| C45 | N15 | C46 | 123.7° | 116.1° |
| N15 | C45 | H451 | 111.2° | 109.6° |
| C45 | N15 | H151 | 118.1° | 122.4° |
| C51 | N18 | C57 | 125.1° | 117.3° |
| C51 | N18 | H181 | 117.4° | 123.4° |
| C44 | C39 | O05 | 119.7° | 119.6° |
| C44 | C39 | N11 | 115.9° | 117.8° |
| C57 | C58 | O09 | 116.5° | 120.3° |
| C58 | C57 | N18 | 148.4° | 119.4° |
| C58 | C57 | C60 | 102.0° | 122.7° |
| N18 | C57 | C60 | 108.9° | 117.9° |
| C57 | N18 | H181 | 117.5° | 119.2° |
| C57 | C60 | H602 | 120.0° | 120.0° |
| C57 | C60 | H2 | 120.0° | 120.0° |
| N15 | C46 | O06 | 118.8° | 120.7° |
| N15 | C46 | C40 | 122.2° | 119.3° |
| C46 | N15 | H151 | 118.1° | 121.5° |
| O05 | C39 | N11 | 124.4° | 122.5° |
| C39 | N11 | C22 | 119.6° | 117.2° |
| C39 | N11 | H111 | 120.2° | 121.3° |
| O06 | C46 | C40 | 119.0° | 119.9° |
| O02 | C27 | C22 | 120.0° | 119.7° |
| O02 | C27 | N10 | 120.6° | 121.5° |
| C46 | C40 | N14 | 105.4° | 109.3° |
| C46 | C40 | H402 | 110.5° | 109.6° |
| C46 | C40 | H401 | 110.5° | 109.3° |
| N11 | C22 | C27 | 113.7° | 108.8° |
| N11 | C22 | C23 | 108.1° | 110.1° |
| N11 | C22 | H221 | 108.1° | 110.1° |
| C22 | N11 | H111 | 120.2° | 121.6° |
| C22 | C27 | N10 | 119.4° | 118.8° |
| C27 | C22 | C23 | 112.7° | 108.2° |
| C27 | C22 | H221 | 107.0° | 109.9° |
| C27 | N10 | C20 | 121.4° | 119.1° |
| C27 | N10 | H101 | 119.3° | 120.5° |
| C22 | C23 | C25 | 118.6° | 109.5° |
| C23 | C22 | H221 | 107.1° | 109.7° |
| C22 | C23 | H231 | 107.2° | 109.5° |
| C22 | C23 | H232 | 107.2° | 109.4° |
| N13 | C33 | C25 | 103.5° | 109.9° |
| C33 | N13 | C32 | 114.2° | 109.9° |
| N13 | C33 | H331 | 128.2° | 125.0° |
| C33 | N13 | H131 | 122.9° | 125.1° |
| C33 | C25 | C23 | 124.5° | 126.5° |
| C33 | C25 | C28 | 113.6° | 107.0° |
| C25 | C33 | H331 | 128.2° | 125.0° |
| C40 | N14 | C30 | 121.1° | 116.3° |
| N14 | C40 | H402 | 110.5° | 109.1° |
| N14 | C40 | H401 | 110.4° | 110.2° |
| C40 | N14 | H141 | 119.4° | 121.6° |
| N14 | C30 | O04 | 119.9° | 120.3° |
| N14 | C30 | C20 | 121.8° | 118.7° |
| C30 | N14 | H141 | 119.4° | 122.1° |
| N13 | C32 | C28 | 104.3° | 107.1° |
| N13 | C32 | C38 | 136.0° | 133.5° |
| C32 | N13 | H131 | 122.9° | 125.0° |
| O04 | C30 | C20 | 118.3° | 121.0° |
| C30 | C20 | N10 | 114.9° | 110.5° |
| C30 | C20 | C21 | 109.1° | 110.1° |
| C30 | C20 | H201 | 106.9° | 108.5° |
| N10 | C20 | C21 | 111.0° | 109.8° |
| N10 | C20 | H201 | 107.8° | 109.0° |
| C20 | N10 | H101 | 119.3° | 120.3° |
| C20 | C21 | C24 | 115.2° | 109.5° |
| C21 | C20 | H201 | 106.8° | 109.0° |
| C20 | C21 | H212 | 108.0° | 109.5° |
| C20 | C21 | H211 | 108.0° | 109.5° |
| C23 | C25 | C28 | 121.8° | 126.4° |
| C25 | C23 | H231 | 107.1° | 109.5° |
| C25 | C23 | H232 | 107.1° | 109.4° |
| C25 | C28 | C32 | 104.3° | 106.0° |
| C25 | C28 | C36 | 134.4° | 134.1° |
| C28 | C32 | C38 | 119.7° | 119.4° |
| C32 | C28 | C36 | 121.2° | 119.9° |
| C32 | C38 | C43 | 119.4° | 119.8° |
| C32 | C38 | H381 | 120.2° | 120.1° |
| C21 | C24 | C31 | 122.5° | 126.5° |
| C21 | C24 | C26 | 124.6° | 126.5° |
| C24 | C21 | H212 | 108.0° | 109.4° |
| C24 | C21 | H211 | 108.0° | 109.5° |
| C28 | C36 | C42 | 120.1° | 119.8° |
| C28 | C36 | H361 | 119.9° | 120.1° |
| C38 | C43 | C42 | 120.6° | 120.7° |
| C43 | C38 | H381 | 120.3° | 120.1° |
| C38 | C43 | H431 | 119.7° | 119.6° |
| C36 | C42 | C43 | 119.0° | 120.5° |
| C42 | C36 | H361 | 120.0° | 120.1° |
| C36 | C42 | H421 | 120.5° | 119.8° |
| C52 | O03 | C34 | 111.3° | 117.0° |
| O03 | C52 | H523 | 109.5° | 109.5° |
| O03 | C52 | H522 | 109.5° | 109.4° |
| O03 | C52 | H521 | 109.4° | 109.5° |
| C43 | C42 | H421 | 120.5° | 119.7° |
| C42 | C43 | H431 | 119.7° | 119.7° |
| C31 | C24 | C26 | 112.8° | 107.0° |
| C24 | C31 | N12 | 105.0° | 109.9° |
| C24 | C31 | H311 | 127.5° | 125.0° |
| C24 | C26 | C34 | 140.1° | 134.0° |
| C24 | C26 | C29 | 102.8° | 106.1° |
| O03 | C34 | C26 | 115.0° | 120.3° |
| O03 | C34 | C37 | 123.8° | 120.2° |
| C31 | N12 | C29 | 113.8° | 109.9° |
| C31 | N12 | H121 | 123.1° | 125.1° |
| N12 | C31 | H311 | 127.5° | 125.1° |
| C34 | C26 | C29 | 117.1° | 119.9° |
| C26 | C34 | C37 | 121.0° | 119.5° |
| C26 | C29 | N12 | 105.5° | 107.1° |
| C26 | C29 | C35 | 122.0° | 119.5° |
| C34 | C37 | C41 | 120.2° | 120.3° |
| C34 | C37 | H371 | 119.9° | 119.9° |
| N12 | C29 | C35 | 132.4° | 133.4° |
| C29 | N12 | H121 | 123.1° | 125.0° |
| C29 | C35 | C41 | 121.1° | 120.1° |
| C29 | C35 | H351 | 119.5° | 119.9° |
| C37 | C41 | C35 | 118.6° | 120.7° |
| C41 | C37 | H371 | 119.9° | 119.8° |
| C37 | C41 | H411 | 120.7° | 119.7° |
| C41 | C35 | H351 | 119.5° | 120.0° |
| C35 | C41 | H411 | 120.7° | 119.6° |
| H212 | C21 | H211 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.3° |
| H472 | C47 | H471 | 109.5° | 109.5° |
| H523 | C52 | H522 | 109.4° | 109.4° |
| H523 | C52 | H521 | 109.5° | 109.5° |
| H522 | C52 | H521 | 109.5° | 109.5° |
| H532 | C53 | H533 | 109.5° | 109.4° |
| H532 | C53 | H531 | 109.4° | 109.5° |
| H533 | C53 | H531 | 109.5° | 109.5° |
| H543 | C54 | H542 | 109.4° | 109.5° |
| H543 | C54 | H541 | 109.4° | 109.5° |
| H542 | C54 | H541 | 109.5° | 109.5° |
| H552 | C55 | H551 | 109.5° | 109.0° |
| H592 | C59 | H593 | 109.5° | 109.5° |
| H592 | C59 | H591 | 109.5° | 109.5° |
| H593 | C59 | H591 | 109.5° | 109.5° |
| H602 | C60 | H2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C54 | C48 | N17 | C49 | 116.7° | 119.0° |
| C54 | C48 | N17 | H481 | 118.6° | 120.9° |
| C54 | C48 | C49 | H481 | 117.8° | 120.7° |
| C54 | C48 | N17 | C56 | 120.3° | 78.4° |
| C54 | C48 | C49 | S01 | 95.0° | 89.1° |
| C54 | C48 | C49 | N16 | 83.8° | 90.8° |
| C48 | C54 | H543 | H542 | 120.0° | 120.0° |
| C48 | C54 | H543 | H541 | 120.0° | 120.0° |
| C48 | C54 | H542 | H541 | 120.0° | 120.0° |
| C54 | C48 | N17 | H171 | 59.7° | 102.0° |
| N17 | C48 | C49 | H481 | 125.1° | 119.9° |
| C48 | N17 | C56 | O08 | 0.1° | 0.5° |
| C48 | N17 | C56 | H171 | 180.0° | 179.6° |
| C48 | N17 | C56 | C55 | 178.7° | 179.2° |
| N17 | C48 | C49 | S01 | 147.9° | 151.6° |
| N17 | C48 | C49 | N16 | 33.3° | 28.6° |
| N17 | C48 | C54 | H543 | 180.0° | 60.0° |
| N17 | C48 | C54 | H542 | 60.0° | 180.0° |
| N17 | C48 | C54 | H541 | 60.0° | 60.0° |
| C49 | C48 | N17 | C56 | 123.0° | 162.6° |
| C48 | C49 | S01 | N16 | 179.0° | 179.8° |
| C48 | C49 | S01 | C50 | 179.6° | 179.1° |
| C48 | C49 | N16 | C44 | 179.4° | 178.7° |
| C49 | C48 | C54 | H543 | 57.2° | 178.3° |
| C49 | C48 | C54 | H542 | 62.8° | 61.7° |
| C49 | C48 | C54 | H541 | 177.2° | 58.3° |
| C49 | C48 | N17 | H171 | 57.0° | 17.0° |
| O08 | C56 | N17 | C55 | 178.8° | 179.8° |
| O08 | C56 | C55 | N19 | 166.5° | 96.0° |
| O08 | C56 | C55 | H552 | 75.5° | 143.5° |
| O08 | C56 | C55 | H551 | 48.6° | 24.2° |
| O08 | C56 | N17 | H171 | 179.9° | 179.9° |
| C59 | N19 | C55 | C56 | 74.9° | 8.5° |
| C59 | N19 | C55 | C58 | 176.3° | 179.3° |
| C59 | N19 | C58 | C57 | 10.5° | 5.7° |
| C59 | N19 | C58 | O09 | 172.9° | 171.8° |
| C59 | N19 | C55 | H552 | 167.1° | 112.3° |
| C59 | N19 | C55 | H551 | 43.0° | 128.6° |
| N19 | C59 | H592 | H593 | 120.0° | 120.0° |
| N19 | C59 | H592 | H591 | 120.0° | 120.0° |
| N19 | C59 | H593 | H591 | 120.0° | 120.0° |
| N17 | C56 | C55 | N19 | 12.1° | 84.2° |
| C56 | N17 | C48 | H481 | 1.8° | 42.5° |
| N17 | C56 | C55 | H552 | 105.8° | 36.3° |
| N17 | C56 | C55 | H551 | 130.1° | 155.5° |
| C56 | C55 | N19 | H552 | 118.0° | 120.8° |
| C56 | C55 | N19 | H551 | 117.9° | 120.1° |
| C56 | C55 | N19 | C58 | 108.8° | 172.2° |
| C56 | C55 | H552 | H551 | 125.7° | 119.3° |
| C55 | C56 | N17 | H171 | 1.3° | 0.4° |
| S01 | C49 | N16 | C44 | 0.4° | 1.1° |
| C49 | S01 | C50 | C44 | 0.4° | 0.2° |
| S01 | C49 | C48 | H481 | 22.7° | 31.6° |
| C49 | S01 | C50 | H501 | 179.6° | 179.4° |
| C50 | S01 | C49 | N16 | 0.6° | 0.8° |
| S01 | C50 | C44 | N16 | 0.2° | 0.4° |
| S01 | C50 | C44 | H501 | 180.0° | 179.6° |
| S01 | C50 | C44 | C39 | 179.9° | 178.8° |
| C49 | N16 | C44 | C50 | 0.1° | 1.0° |
| C49 | N16 | C44 | C39 | 179.8° | 178.2° |
| N16 | C49 | C48 | H481 | 158.4° | 148.5° |
| C53 | C47 | C45 | H472 | 120.4° | 120.0° |
| C53 | C47 | C45 | H471 | 120.4° | 120.0° |
| C53 | C47 | C45 | C51 | 160.2° | 175.0° |
| C53 | C47 | C45 | N15 | 42.7° | 64.7° |
| C53 | C47 | C45 | H451 | 78.1° | 55.4° |
| C53 | C47 | H472 | H471 | 118.9° | 120.0° |
| C47 | C53 | H532 | H533 | 120.0° | 120.0° |
| C47 | C53 | H532 | H531 | 120.0° | 120.0° |
| C47 | C53 | H533 | H531 | 120.0° | 120.0° |
| C47 | C45 | C51 | O07 | 3.3° | 156.1° |
| C47 | C45 | C51 | N15 | 116.5° | 120.9° |
| C47 | C45 | C51 | H451 | 121.7° | 119.5° |
| C47 | C45 | N15 | H451 | 120.1° | 119.7° |
| C47 | C45 | C51 | N18 | 172.9° | 25.6° |
| C47 | C45 | N15 | C46 | 144.1° | 145.6° |
| C45 | C47 | H472 | H471 | 118.9° | 120.1° |
| C45 | C47 | C53 | H532 | 180.0° | 180.0° |
| C45 | C47 | C53 | H533 | 60.0° | 60.0° |
| C45 | C47 | C53 | H531 | 60.0° | 60.0° |
| C47 | C45 | N15 | H151 | 35.9° | 34.7° |
| C55 | N19 | C58 | C57 | 165.5° | 175.0° |
| C55 | N19 | C58 | O09 | 3.1° | 7.5° |
| N19 | C55 | H552 | H551 | 125.7° | 119.3° |
| C55 | N19 | C59 | H592 | 180.0° | 90.0° |
| C55 | N19 | C59 | H593 | 60.0° | 150.0° |
| C55 | N19 | C59 | H591 | 60.0° | 30.0° |
| O07 | C51 | C45 | N18 | 176.2° | 178.3° |
| O07 | C51 | C45 | N15 | 119.7° | 83.0° |
| O07 | C51 | N18 | C57 | 2.9° | 16.6° |
| O07 | C51 | C45 | H451 | 118.4° | 36.6° |
| O07 | C51 | N18 | H181 | 177.1° | 161.5° |
| N19 | C58 | C57 | O09 | 162.9° | 177.4° |
| N19 | C58 | C57 | N18 | 68.0° | 124.5° |
| N19 | C58 | C57 | C60 | 99.4° | 56.0° |
| C58 | N19 | C55 | H552 | 9.2° | 67.1° |
| C58 | N19 | C55 | H551 | 133.3° | 52.1° |
| C58 | N19 | C59 | H592 | 3.9° | 89.3° |
| C58 | N19 | C59 | H593 | 116.1° | 30.8° |
| C58 | N19 | C59 | H591 | 123.8° | 150.8° |
| N16 | C44 | C50 | C39 | 179.9° | 179.2° |
| N16 | C44 | C39 | O05 | 178.1° | 161.2° |
| N16 | C44 | C39 | N11 | 1.9° | 19.8° |
| N16 | C44 | C50 | H501 | 179.8° | 179.9° |
| C50 | C44 | C39 | O05 | 1.9° | 17.9° |
| C50 | C44 | C39 | N11 | 178.0° | 161.1° |
| C51 | C45 | N15 | H451 | 121.3° | 119.2° |
| C45 | C51 | N18 | C57 | 179.0° | 165.2° |
| C51 | C45 | N15 | C46 | 97.2° | 93.2° |
| C51 | C45 | C47 | H472 | 39.8° | 55.0° |
| C51 | C45 | C47 | H471 | 79.5° | 65.0° |
| C51 | C45 | N15 | H151 | 82.8° | 86.4° |
| C45 | C51 | N18 | H181 | 1.0° | 16.7° |
| N15 | C45 | C51 | N18 | 56.4° | 95.3° |
| C45 | N15 | C46 | H151 | 180.0° | 179.6° |
| C45 | N15 | C46 | O06 | 0.1° | 1.4° |
| C45 | N15 | C46 | C40 | 178.6° | 178.9° |
| N15 | C45 | C47 | H472 | 77.7° | 175.3° |
| N15 | C45 | C47 | H471 | 163.1° | 55.3° |
| C51 | N18 | C57 | C58 | 10.1° | 9.4° |
| C51 | N18 | C57 | H181 | 180.0° | 178.2° |
| C51 | N18 | C57 | C60 | 156.9° | 171.1° |
| N18 | C51 | C45 | H451 | 65.4° | 145.1° |
| C44 | C39 | O05 | N11 | 180.0° | 179.0° |
| C44 | C39 | N11 | C22 | 179.8° | 178.2° |
| C39 | C44 | C50 | H501 | 0.2° | 0.7° |
| C44 | C39 | N11 | H111 | 0.1° | 1.8° |
| C58 | C57 | N18 | C60 | 167.0° | 179.5° |
| C58 | C57 | C60 | H602 | 173.1° | 0.0° |
| C58 | C57 | C60 | H2 | 6.9° | 180.0° |
| C58 | C57 | N18 | H181 | 169.9° | 172.4° |
| O09 | C58 | C57 | N18 | 129.0° | 52.9° |
| O09 | C58 | C57 | C60 | 63.6° | 126.5° |
| N18 | C57 | C60 | H602 | 0.0° | 179.4° |
| N18 | C57 | C60 | H2 | 180.0° | 0.5° |
| C57 | C60 | H602 | H2 | 180.0° | 180.0° |
| C60 | C57 | N18 | H181 | 23.1° | 7.1° |
| N15 | C46 | O06 | C40 | 178.8° | 179.7° |
| N15 | C46 | C40 | N14 | 4.4° | 177.7° |
| N15 | C46 | C40 | H402 | 123.8° | 62.8° |
| N15 | C46 | C40 | H401 | 115.0° | 57.0° |
| C46 | N15 | C45 | H451 | 24.0° | 25.9° |
| O05 | C39 | N11 | C22 | 0.2° | 0.8° |
| O05 | C39 | N11 | H111 | 179.8° | 179.2° |
| C39 | N11 | C22 | H111 | 180.0° | 180.0° |
| C39 | N11 | C22 | C27 | 121.3° | 176.9° |
| C39 | N11 | C22 | C23 | 112.9° | 64.6° |
| C39 | N11 | C22 | H221 | 2.6° | 56.5° |
| O06 | C46 | C40 | N14 | 176.9° | 2.0° |
| O06 | C46 | C40 | H402 | 57.5° | 117.5° |
| O06 | C46 | C40 | H401 | 63.8° | 122.7° |
| O06 | C46 | N15 | H151 | 179.9° | 178.2° |
| O02 | C27 | C22 | N11 | 12.8° | 9.3° |
| O02 | C27 | C22 | N10 | 178.7° | 178.9° |
| O02 | C27 | C22 | C23 | 136.1° | 110.3° |
| O02 | C27 | N10 | C20 | 0.2° | 17.6° |
| O02 | C27 | C22 | H221 | 106.5° | 129.9° |
| O02 | C27 | N10 | H101 | 179.9° | 162.6° |
| C46 | C40 | N14 | H402 | 119.4° | 119.9° |
| C46 | C40 | N14 | H401 | 119.4° | 120.2° |
| C46 | C40 | N14 | C30 | 113.8° | 94.6° |
| C46 | C40 | H402 | H401 | 121.9° | 119.9° |
| C46 | C40 | N14 | H141 | 66.2° | 85.1° |
| C40 | C46 | N15 | H151 | 1.4° | 1.5° |
| N11 | C22 | C27 | C23 | 123.3° | 119.6° |
| N11 | C22 | C27 | H221 | 119.2° | 120.6° |
| N11 | C22 | C27 | N10 | 168.5° | 169.6° |
| N11 | C22 | C23 | H221 | 116.2° | 121.3° |
| N11 | C22 | C23 | C25 | 63.8° | 173.5° |
| N11 | C22 | C23 | H231 | 174.9° | 53.4° |
| N11 | C22 | C23 | H232 | 57.5° | 66.6° |
| C27 | C22 | C23 | H221 | 117.4° | 119.9° |
| C22 | C27 | N10 | C20 | 178.8° | 163.5° |
| C27 | C22 | C23 | C25 | 62.6° | 67.8° |
| C27 | C22 | C23 | H231 | 58.6° | 172.2° |
| C27 | C22 | C23 | H232 | 176.1° | 52.2° |
| C22 | C27 | N10 | H101 | 1.2° | 16.3° |
| C27 | C22 | N11 | H111 | 58.7° | 3.0° |
| N10 | C27 | C22 | C23 | 45.2° | 70.7° |
| C27 | N10 | C20 | C30 | 83.7° | 63.2° |
| C27 | N10 | C20 | H101 | 180.0° | 179.7° |
| C27 | N10 | C20 | C21 | 152.0° | 58.4° |
| C27 | N10 | C20 | H201 | 35.3° | 177.7° |
| N10 | C27 | C22 | H221 | 72.2° | 49.0° |
| C22 | C23 | C25 | C33 | 67.3° | 104.8° |
| C22 | C23 | C25 | H231 | 121.3° | 120.1° |
| C22 | C23 | C25 | H232 | 121.3° | 119.9° |
| C22 | C23 | C25 | C28 | 116.7° | 75.1° |
| C22 | C23 | H231 | H232 | 115.9° | 120.0° |
| C23 | C22 | N11 | H111 | 67.1° | 115.4° |
| N13 | C33 | C25 | H331 | 180.0° | 179.9° |
| C33 | N13 | C32 | H131 | 180.0° | 179.9° |
| N13 | C33 | C25 | C23 | 178.2° | 179.8° |
| N13 | C33 | C25 | C28 | 2.0° | 0.2° |
| C33 | N13 | C32 | C28 | 0.3° | 0.1° |
| C33 | N13 | C32 | C38 | 180.0° | 179.9° |
| C25 | C33 | N13 | C32 | 1.0° | 0.1° |
| C33 | C25 | C23 | C28 | 175.9° | 179.9° |
| C33 | C25 | C28 | C32 | 2.3° | 0.3° |
| C33 | C25 | C28 | C36 | 179.8° | 179.9° |
| C33 | C25 | C23 | H231 | 171.4° | 135.2° |
| C33 | C25 | C23 | H232 | 54.0° | 15.1° |
| C25 | C33 | N13 | H131 | 179.0° | 180.0° |
| C40 | N14 | C30 | H141 | 180.0° | 179.7° |
| C40 | N14 | C30 | O04 | 0.0° | 0.8° |
| C40 | N14 | C30 | C20 | 179.7° | 178.1° |
| N14 | C40 | H402 | H401 | 121.8° | 120.5° |
| N14 | C30 | O04 | C20 | 179.7° | 178.9° |
| N14 | C30 | C20 | N10 | 8.3° | 178.2° |
| N14 | C30 | C20 | C21 | 133.7° | 56.7° |
| N14 | C30 | C20 | H201 | 111.2° | 62.4° |
| C30 | N14 | C40 | H402 | 126.8° | 145.5° |
| C30 | N14 | C40 | H401 | 5.5° | 25.6° |
| N13 | C32 | C28 | C25 | 1.4° | 0.2° |
| N13 | C32 | C28 | C38 | 179.8° | 180.0° |
| N13 | C32 | C28 | C36 | 179.4° | 179.9° |
| N13 | C32 | C38 | C43 | 180.0° | 180.0° |
| C32 | N13 | C33 | H331 | 179.0° | 180.0° |
| N13 | C32 | C38 | H381 | 0.0° | 0.1° |
| O04 | C30 | C20 | N10 | 171.4° | 2.9° |
| O04 | C30 | C20 | C21 | 46.1° | 124.4° |
| O04 | C30 | C20 | H201 | 69.1° | 116.4° |
| O04 | C30 | N14 | H141 | 180.0° | 178.9° |
| C30 | C20 | N10 | C21 | 124.3° | 121.6° |
| C30 | C20 | N10 | H201 | 119.0° | 119.1° |
| C30 | C20 | C21 | H201 | 115.2° | 118.9° |
| C30 | C20 | C21 | C24 | 60.3° | 57.3° |
| C30 | C20 | C21 | H212 | 60.6° | 177.2° |
| C30 | C20 | C21 | H211 | 178.9° | 62.8° |
| C30 | C20 | N10 | H101 | 96.3° | 117.0° |
| C20 | C30 | N14 | H141 | 0.3° | 2.2° |
| N10 | C20 | C21 | H201 | 117.2° | 119.3° |
| N10 | C20 | C21 | C24 | 67.3° | 179.1° |
| N10 | C20 | C21 | H212 | 171.9° | 60.9° |
| N10 | C20 | C21 | H211 | 53.5° | 59.1° |
| C20 | C21 | C24 | H212 | 120.8° | 120.0° |
| C20 | C21 | C24 | H211 | 120.8° | 120.1° |
| C20 | C21 | C24 | C31 | 83.5° | 105.2° |
| C20 | C21 | C24 | C26 | 95.9° | 75.0° |
| C20 | C21 | H212 | H211 | 117.4° | 120.1° |
| C21 | C20 | N10 | H101 | 28.0° | 121.4° |
| C23 | C25 | C28 | C32 | 178.6° | 179.8° |
| C23 | C25 | C28 | C36 | 3.9° | 0.1° |
| C25 | C23 | C22 | H221 | 180.0° | 52.1° |
| C25 | C23 | H231 | H232 | 115.9° | 120.0° |
| C23 | C25 | C33 | H331 | 1.8° | 0.1° |
| C25 | C28 | C32 | C36 | 178.0° | 179.7° |
| C25 | C28 | C32 | C38 | 178.8° | 179.8° |
| C25 | C28 | C36 | C42 | 178.2° | 179.9° |
| C28 | C25 | C23 | H231 | 4.5° | 44.9° |
| C28 | C25 | C23 | H232 | 121.9° | 164.9° |
| C28 | C25 | C33 | H331 | 178.0° | 179.9° |
| C25 | C28 | C36 | H361 | 1.8° | 0.2° |
| C28 | C32 | C38 | C43 | 0.3° | 0.1° |
| C32 | C28 | C36 | C42 | 0.9° | 0.3° |
| C32 | C28 | C36 | H361 | 179.0° | 179.8° |
| C28 | C32 | C38 | H381 | 179.7° | 179.9° |
| C28 | C32 | N13 | H131 | 179.7° | 179.8° |
| C38 | C32 | C28 | C36 | 0.8° | 0.1° |
| C32 | C38 | C43 | H381 | 180.0° | 179.9° |
| C32 | C38 | C43 | C42 | 0.1° | 0.3° |
| C32 | C38 | C43 | H431 | 179.9° | 180.0° |
| C38 | C32 | N13 | H131 | 0.0° | 0.2° |
| C21 | C24 | C31 | C26 | 179.5° | 179.9° |
| C21 | C24 | C31 | N12 | 179.4° | 180.0° |
| C21 | C24 | C26 | C34 | 0.0° | 0.1° |
| C21 | C24 | C26 | C29 | 179.9° | 179.8° |
| C24 | C21 | C20 | H201 | 175.5° | 61.6° |
| C24 | C21 | H212 | H211 | 117.4° | 119.9° |
| C21 | C24 | C31 | H311 | 0.5° | 0.1° |
| C28 | C36 | C42 | H361 | 180.0° | 179.9° |
| C28 | C36 | C42 | C43 | 0.5° | 0.6° |
| C28 | C36 | C42 | H421 | 179.5° | 180.0° |
| C38 | C43 | C42 | C36 | 0.1° | 0.6° |
| C38 | C43 | C42 | H431 | 180.0° | 179.7° |
| C38 | C43 | C42 | H421 | 180.0° | 180.0° |
| C36 | C42 | C43 | H421 | 180.0° | 179.4° |
| C36 | C42 | C43 | H431 | 180.0° | 179.7° |
| C52 | O03 | C34 | C26 | 121.5° | 174.7° |
| C52 | O03 | C34 | C37 | 62.7° | 4.7° |
| O03 | C52 | H523 | H522 | 120.0° | 119.9° |
| O03 | C52 | H523 | H521 | 120.0° | 120.0° |
| O03 | C52 | H522 | H521 | 120.0° | 120.0° |
| C43 | C42 | C36 | H361 | 179.5° | 179.5° |
| C42 | C43 | C38 | H381 | 179.9° | 179.8° |
| C24 | C31 | N12 | H311 | 180.0° | 179.8° |
| C31 | C24 | C26 | C34 | 179.5° | 179.8° |
| C31 | C24 | C26 | C29 | 0.4° | 0.3° |
| C24 | C31 | N12 | C29 | 0.5° | 0.0° |
| C24 | C31 | N12 | H121 | 179.5° | 179.8° |
| C31 | C24 | C21 | H212 | 37.3° | 134.8° |
| C31 | C24 | C21 | H211 | 155.7° | 14.9° |
| C24 | C26 | C34 | O03 | 2.3° | 0.1° |
| C26 | C24 | C31 | N12 | 0.1° | 0.2° |
| C24 | C26 | C34 | C29 | 179.9° | 179.9° |
| C24 | C26 | C34 | C37 | 178.2° | 179.4° |
| C24 | C26 | C29 | N12 | 0.6° | 0.3° |
| C24 | C26 | C29 | C35 | 179.7° | 179.7° |
| C26 | C24 | C21 | H212 | 143.2° | 45.0° |
| C26 | C24 | C21 | H211 | 24.9° | 164.9° |
| C26 | C24 | C31 | H311 | 180.0° | 180.0° |
| O03 | C34 | C26 | C37 | 175.9° | 179.3° |
| O03 | C34 | C26 | C29 | 177.8° | 179.8° |
| O03 | C34 | C37 | C41 | 178.3° | 179.8° |
| O03 | C34 | C37 | H371 | 1.7° | 0.7° |
| C34 | O03 | C52 | H523 | 180.0° | 55.2° |
| C34 | O03 | C52 | H522 | 60.0° | 64.7° |
| C34 | O03 | C52 | H521 | 60.0° | 175.3° |
| C31 | N12 | C29 | C26 | 0.7° | 0.2° |
| C31 | N12 | C29 | H121 | 180.0° | 179.8° |
| C31 | N12 | C29 | C35 | 179.6° | 179.8° |
| C34 | C26 | C29 | N12 | 179.3° | 179.8° |
| C34 | C26 | C29 | C35 | 0.4° | 0.2° |
| C26 | C34 | C37 | C41 | 2.8° | 0.5° |
| C26 | C34 | C37 | H371 | 177.2° | 180.0° |
| C29 | C26 | C34 | C37 | 1.9° | 0.5° |
| C26 | C29 | N12 | C35 | 179.6° | 180.0° |
| C26 | C29 | C35 | C41 | 0.4° | 0.0° |
| C26 | C29 | N12 | H121 | 179.3° | 180.0° |
| C26 | C29 | C35 | H351 | 179.6° | 180.0° |
| C34 | C37 | C41 | H371 | 180.0° | 179.5° |
| C34 | C37 | C41 | C35 | 1.9° | 0.3° |
| C34 | C37 | C41 | H411 | 178.0° | 179.8° |
| N12 | C29 | C35 | C41 | 180.0° | 180.0° |
| C29 | N12 | C31 | H311 | 179.5° | 179.8° |
| N12 | C29 | C35 | H351 | 0.0° | 0.0° |
| C29 | C35 | C41 | C37 | 0.4° | 0.1° |
| C29 | C35 | C41 | H351 | 180.0° | 180.0° |
| C35 | C29 | N12 | H121 | 0.4° | 0.0° |
| C29 | C35 | C41 | H411 | 179.6° | 180.0° |
| C37 | C41 | C35 | H411 | 180.0° | 180.0° |
| C37 | C41 | C35 | H351 | 179.6° | 180.0° |
| C35 | C41 | C37 | H371 | 178.0° | 179.8° |
| H121 | N12 | C31 | H311 | 0.5° | 0.0° |
| H201 | C20 | C21 | H212 | 54.7° | 58.3° |
| H201 | C20 | C21 | H211 | 63.7° | 178.4° |
| H201 | C20 | N10 | H101 | 144.7° | 2.1° |
| H221 | C22 | C23 | H231 | 58.7° | 67.9° |
| H221 | C22 | C23 | H232 | 58.7° | 172.0° |
| H221 | C22 | N11 | H111 | 177.3° | 123.5° |
| H331 | C33 | N13 | H131 | 1.0° | 0.1° |
| H351 | C35 | C41 | H411 | 0.4° | 0.0° |
| H361 | C36 | C42 | H421 | 0.5° | 0.1° |
| H371 | C37 | C41 | H411 | 2.0° | 0.2° |
| H381 | C38 | C43 | H431 | 0.1° | 0.1° |
| H402 | C40 | N14 | H141 | 53.2° | 34.8° |
| H401 | C40 | N14 | H141 | 174.4° | 154.7° |
| H421 | C42 | C43 | H431 | 0.0° | 0.3° |
| H451 | C45 | C47 | H472 | 161.5° | 64.6° |
| H451 | C45 | C47 | H471 | 42.3° | 175.4° |
| H451 | C45 | N15 | H151 | 156.0° | 154.4° |
| H472 | C47 | C53 | H532 | 59.7° | 60.0° |
| H472 | C47 | C53 | H533 | 60.4° | 180.0° |
| H472 | C47 | C53 | H531 | 179.6° | 60.0° |
| H471 | C47 | C53 | H532 | 59.6° | 60.0° |
| H471 | C47 | C53 | H533 | 179.7° | 60.0° |
| H471 | C47 | C53 | H531 | 60.4° | 180.0° |
| H481 | C48 | C54 | H543 | 60.8° | 60.8° |
| H481 | C48 | C54 | H542 | 179.2° | 59.2° |
| H481 | C48 | C54 | H541 | 59.2° | 179.2° |
| H481 | C48 | N17 | H171 | 178.2° | 137.1° |
| H523 | C52 | H522 | H521 | 120.0° | 120.1° |
| H532 | C53 | H533 | H531 | 120.0° | 120.0° |
| H543 | C54 | H542 | H541 | 120.0° | 120.0° |
| H592 | C59 | H593 | H591 | 120.0° | 120.0° |
