D31
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | C10 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | N8 | sing | 1.47Å | 1.48Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| N8 | C9 | sing | 1.47Å | 1.48Å | |
| N8 | C20 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | N24 | sing | 1.35Å | 1.33Å | |
| C21 | O53 | doub | 1.21Å | 1.23Å | |
| N24 | C25 | sing | 1.39Å | 1.42Å | |
| N24 | H24 | sing | 0.97Å | 1.02Å | |
| C25 | C26 | doub | 1.39Å | 1.48Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.47Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.47Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.48Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.47Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.41Å | 1.47Å | Aromatic |
| C29 | C31 | sing | 1.48Å | 1.45Å | Aromatic |
| C30 | C33 | sing | 1.48Å | 1.45Å | |
| C31 | C32 | sing | 1.47Å | 1.44Å | Aromatic |
| C31 | N55 | doub | 1.31Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.47Å | 1.45Å | |
| C32 | C35 | doub | 1.36Å | 1.45Å | Aromatic |
| C33 | O54 | doub | 1.22Å | 1.23Å | |
| N34 | C35 | sing | 1.35Å | 1.41Å | Aromatic |
| N34 | N55 | sing | 1.40Å | 1.52Å | Aromatic |
| N34 | H34 | sing | 0.97Å | 1.02Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C41 | sing | 1.53Å | 1.53Å | |
| C36 | H36 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 112.5° | 106.7° |
| C2 | N1 | HN12 | 111.1° | 106.7° |
| N1 | C2 | C3 | 112.5° | 109.5° |
| N1 | C2 | H21 | 111.1° | 109.5° |
| N1 | C2 | H22 | 111.1° | 109.5° |
| HN11 | N1 | HN12 | 111.0° | 106.8° |
| C3 | C2 | H21 | 111.1° | 109.4° |
| C3 | C2 | H22 | 111.1° | 109.5° |
| C2 | C3 | C6 | 110.4° | 109.6° |
| C2 | C3 | C10 | 109.9° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| H21 | C2 | H22 | 99.2° | 109.5° |
| C6 | C3 | C10 | 109.0° | 108.9° |
| C6 | C3 | H3 | 109.3° | 109.6° |
| C3 | C6 | C7 | 113.6° | 109.2° |
| C3 | C6 | H61 | 110.7° | 109.5° |
| C3 | C6 | H62 | 110.7° | 109.5° |
| C10 | C3 | H3 | 109.8° | 109.7° |
| C3 | C10 | C9 | 113.9° | 109.2° |
| C3 | C10 | H101 | 110.6° | 109.5° |
| C3 | C10 | H102 | 110.6° | 109.5° |
| C7 | C6 | H61 | 110.7° | 109.5° |
| C7 | C6 | H62 | 110.7° | 109.5° |
| C6 | C7 | N8 | 111.2° | 109.8° |
| C6 | C7 | H71 | 111.6° | 109.4° |
| C6 | C7 | H72 | 111.5° | 109.5° |
| H61 | C6 | H62 | 99.6° | 109.6° |
| N8 | C7 | H71 | 111.6° | 109.4° |
| N8 | C7 | H72 | 111.6° | 109.4° |
| C7 | N8 | C9 | 115.5° | 107.3° |
| C7 | N8 | C20 | 122.1° | 106.7° |
| H71 | C7 | H72 | 98.8° | 109.4° |
| C9 | N8 | C20 | 120.9° | 106.7° |
| N8 | C9 | C10 | 110.8° | 109.7° |
| N8 | C9 | H91 | 111.8° | 109.4° |
| N8 | C9 | H92 | 111.7° | 109.4° |
| N8 | C20 | C21 | 113.2° | 109.5° |
| N8 | C20 | H201 | 110.8° | 109.5° |
| N8 | C20 | H202 | 110.8° | 109.5° |
| C10 | C9 | H91 | 111.7° | 109.5° |
| C10 | C9 | H92 | 111.7° | 109.4° |
| C9 | C10 | H101 | 110.6° | 109.6° |
| C9 | C10 | H102 | 110.6° | 109.5° |
| H91 | C9 | H92 | 98.7° | 109.4° |
| H101 | C10 | H102 | 99.7° | 109.6° |
| C21 | C20 | H201 | 110.9° | 109.5° |
| C21 | C20 | H202 | 110.9° | 109.4° |
| C20 | C21 | N24 | 118.3° | 120.0° |
| C20 | C21 | O53 | 121.5° | 120.0° |
| H201 | C20 | H202 | 99.5° | 109.5° |
| N24 | C21 | O53 | 120.2° | 120.0° |
| C21 | N24 | C25 | 128.0° | 120.0° |
| C21 | N24 | H24 | 112.4° | 119.9° |
| C25 | N24 | H24 | 119.6° | 120.0° |
| N24 | C25 | C26 | 125.4° | 120.1° |
| N24 | C25 | C30 | 113.4° | 120.1° |
| C26 | C25 | C30 | 121.2° | 119.8° |
| C25 | C26 | C27 | 119.0° | 120.2° |
| C25 | C26 | H26 | 120.7° | 119.9° |
| C25 | C30 | C29 | 119.1° | 119.5° |
| C25 | C30 | C33 | 130.4° | 131.5° |
| C27 | C26 | H26 | 120.3° | 119.9° |
| C26 | C27 | C28 | 119.9° | 120.5° |
| C26 | C27 | H27 | 120.0° | 119.8° |
| C28 | C27 | H27 | 120.1° | 119.7° |
| C27 | C28 | C29 | 120.5° | 120.3° |
| C27 | C28 | H28 | 120.1° | 119.8° |
| C29 | C28 | H28 | 119.5° | 119.9° |
| C28 | C29 | C30 | 120.3° | 119.6° |
| C28 | C29 | C31 | 133.6° | 131.5° |
| C30 | C29 | C31 | 106.0° | 108.8° |
| C29 | C30 | C33 | 110.3° | 108.9° |
| C29 | C31 | C32 | 108.4° | 107.6° |
| C29 | C31 | N55 | 139.5° | 145.4° |
| C30 | C33 | C32 | 105.2° | 107.6° |
| C30 | C33 | O54 | 127.0° | 126.2° |
| C32 | C31 | N55 | 112.0° | 107.0° |
| C31 | C32 | C33 | 110.1° | 107.0° |
| C31 | C32 | C35 | 107.9° | 106.8° |
| C31 | N55 | N34 | 102.6° | 108.8° |
| C33 | C32 | C35 | 142.0° | 146.2° |
| C32 | C33 | O54 | 127.8° | 126.2° |
| C32 | C35 | N34 | 106.2° | 107.9° |
| C32 | C35 | C36 | 129.6° | 126.1° |
| C35 | N34 | N55 | 111.2° | 109.4° |
| C35 | N34 | H34 | 121.4° | 125.3° |
| N34 | C35 | C36 | 124.2° | 126.0° |
| N55 | N34 | H34 | 127.4° | 125.3° |
| C35 | C36 | C37 | 116.4° | 109.5° |
| C35 | C36 | C41 | 116.8° | 109.5° |
| C35 | C36 | H36 | 99.1° | 109.4° |
| C37 | C36 | C41 | 112.6° | 109.5° |
| C37 | C36 | H36 | 104.9° | 109.5° |
| C36 | C37 | C38 | 113.0° | 109.5° |
| C36 | C37 | H371 | 110.9° | 109.4° |
| C36 | C37 | H372 | 111.0° | 109.4° |
| C41 | C36 | H36 | 104.4° | 109.4° |
| C36 | C41 | C40 | 112.9° | 109.5° |
| C36 | C41 | H411 | 111.0° | 109.4° |
| C36 | C41 | H412 | 111.0° | 109.5° |
| C38 | C37 | H371 | 110.9° | 109.5° |
| C38 | C37 | H372 | 110.9° | 109.5° |
| C37 | C38 | C39 | 110.8° | 109.5° |
| C37 | C38 | H381 | 111.8° | 109.5° |
| C37 | C38 | H382 | 111.7° | 109.4° |
| H371 | C37 | H372 | 99.4° | 109.5° |
| C39 | C38 | H381 | 111.7° | 109.5° |
| C39 | C38 | H382 | 111.7° | 109.5° |
| C38 | C39 | C40 | 111.4° | 109.5° |
| C38 | C39 | H391 | 111.5° | 109.5° |
| C38 | C39 | H392 | 111.5° | 109.5° |
| H381 | C38 | H382 | 98.6° | 109.5° |
| C40 | C39 | H391 | 111.5° | 109.5° |
| C40 | C39 | H392 | 111.5° | 109.4° |
| C39 | C40 | C41 | 110.7° | 109.5° |
| C39 | C40 | H401 | 111.7° | 109.4° |
| C39 | C40 | H402 | 111.7° | 109.5° |
| H391 | C39 | H392 | 98.9° | 109.5° |
| C41 | C40 | H401 | 111.8° | 109.5° |
| C41 | C40 | H402 | 111.8° | 109.5° |
| C40 | C41 | H411 | 110.9° | 109.5° |
| C40 | C41 | H412 | 110.9° | 109.5° |
| H401 | C40 | H402 | 98.6° | 109.4° |
| H411 | C41 | H412 | 99.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 125.2° | 113.8° |
| N1 | C2 | C3 | H21 | 125.3° | 120.0° |
| N1 | C2 | C3 | H22 | 125.3° | 120.0° |
| N1 | C2 | H21 | H22 | 117.0° | 120.0° |
| N1 | C2 | C3 | C6 | 178.2° | 175.0° |
| N1 | C2 | C3 | C10 | 61.5° | 65.6° |
| N1 | C2 | C3 | H3 | 58.5° | 54.7° |
| HN11 | N1 | C2 | C3 | 180.0° | 66.2° |
| HN11 | N1 | C2 | H21 | 54.8° | 173.9° |
| HN11 | N1 | C2 | H22 | 54.7° | 53.9° |
| HN12 | N1 | C2 | C3 | 54.8° | 180.0° |
| HN12 | N1 | C2 | H21 | 179.9° | 60.0° |
| HN12 | N1 | C2 | H22 | 70.4° | 60.0° |
| C3 | C2 | H21 | H22 | 117.0° | 120.0° |
| C2 | C3 | C6 | C10 | 120.8° | 119.8° |
| C2 | C3 | C6 | H3 | 119.1° | 120.2° |
| C2 | C3 | C10 | H3 | 119.1° | 120.2° |
| C2 | C3 | C6 | C7 | 69.0° | 175.4° |
| C2 | C3 | C6 | H61 | 56.3° | 64.7° |
| C2 | C3 | C6 | H62 | 165.8° | 55.5° |
| C2 | C3 | C10 | C9 | 68.8° | 175.5° |
| C2 | C3 | C10 | H101 | 165.9° | 55.5° |
| C2 | C3 | C10 | H102 | 56.5° | 64.7° |
| H21 | C2 | C3 | C6 | 56.5° | 55.0° |
| H21 | C2 | C3 | C10 | 63.7° | 174.4° |
| H21 | C2 | C3 | H3 | 176.2° | 65.3° |
| H22 | C2 | C3 | C6 | 52.9° | 65.0° |
| H22 | C2 | C3 | C10 | 173.2° | 54.4° |
| H22 | C2 | C3 | H3 | 66.7° | 174.8° |
| C6 | C3 | C10 | H3 | 119.7° | 119.9° |
| C3 | C6 | C7 | H61 | 125.3° | 120.0° |
| C3 | C6 | C7 | H62 | 125.3° | 119.9° |
| C3 | C6 | H61 | H62 | 116.5° | 120.2° |
| C3 | C6 | C7 | N8 | 52.0° | 61.4° |
| C3 | C6 | C7 | H71 | 73.2° | 58.7° |
| C3 | C6 | C7 | H72 | 177.3° | 178.5° |
| C6 | C3 | C10 | C9 | 52.3° | 55.6° |
| C6 | C3 | C10 | H101 | 73.0° | 64.3° |
| C6 | C3 | C10 | H102 | 177.6° | 175.5° |
| C10 | C3 | C6 | C7 | 51.9° | 55.6° |
| C10 | C3 | C6 | H61 | 177.2° | 175.5° |
| C10 | C3 | C6 | H62 | 73.4° | 64.3° |
| C3 | C10 | C9 | N8 | 52.5° | 61.4° |
| C3 | C10 | C9 | H101 | 125.3° | 119.9° |
| C3 | C10 | C9 | H102 | 125.3° | 119.9° |
| C3 | C10 | C9 | H91 | 72.8° | 58.6° |
| C3 | C10 | C9 | H92 | 177.8° | 178.5° |
| C3 | C10 | H101 | H102 | 116.4° | 120.2° |
| H3 | C3 | C6 | C7 | 171.9° | 64.4° |
| H3 | C3 | C6 | H61 | 62.8° | 55.6° |
| H3 | C3 | C6 | H62 | 46.6° | 175.7° |
| H3 | C3 | C10 | C9 | 172.1° | 64.3° |
| H3 | C3 | C10 | H101 | 46.8° | 175.7° |
| H3 | C3 | C10 | H102 | 62.7° | 55.6° |
| C7 | C6 | H61 | H62 | 116.6° | 120.1° |
| C6 | C7 | N8 | H71 | 125.3° | 120.1° |
| C6 | C7 | N8 | H72 | 125.3° | 120.1° |
| C6 | C7 | H71 | H72 | 117.4° | 119.9° |
| C6 | C7 | N8 | C9 | 52.3° | 65.6° |
| C6 | C7 | N8 | C20 | 141.6° | 179.7° |
| H61 | C6 | C7 | N8 | 177.3° | 178.7° |
| H61 | C6 | C7 | H71 | 52.0° | 61.3° |
| H61 | C6 | C7 | H72 | 57.4° | 58.6° |
| H62 | C6 | C7 | N8 | 73.2° | 58.5° |
| H62 | C6 | C7 | H71 | 161.5° | 178.6° |
| H62 | C6 | C7 | H72 | 52.1° | 61.6° |
| N8 | C7 | H71 | H72 | 117.5° | 119.8° |
| C7 | N8 | C9 | C20 | 166.3° | 114.1° |
| C7 | N8 | C9 | C10 | 52.3° | 65.7° |
| C7 | N8 | C9 | H91 | 72.9° | 54.4° |
| C7 | N8 | C9 | H92 | 177.6° | 174.3° |
| C7 | N8 | C20 | C21 | 103.2° | 170.0° |
| C7 | N8 | C20 | H201 | 22.0° | 70.0° |
| C7 | N8 | C20 | H202 | 131.5° | 50.0° |
| H71 | C7 | N8 | C9 | 73.0° | 54.4° |
| H71 | C7 | N8 | C20 | 93.1° | 59.6° |
| H72 | C7 | N8 | C9 | 177.6° | 174.2° |
| H72 | C7 | N8 | C20 | 16.3° | 60.2° |
| N8 | C9 | C10 | H91 | 125.3° | 120.1° |
| N8 | C9 | C10 | H92 | 125.3° | 120.1° |
| N8 | C9 | H91 | H92 | 117.7° | 119.9° |
| N8 | C9 | C10 | H101 | 72.8° | 58.5° |
| N8 | C9 | C10 | H102 | 177.8° | 178.7° |
| C9 | N8 | C20 | C21 | 62.1° | 75.5° |
| C9 | N8 | C20 | H201 | 172.6° | 44.5° |
| C9 | N8 | C20 | H202 | 63.1° | 164.5° |
| C20 | N8 | C9 | C10 | 141.4° | 179.7° |
| C20 | N8 | C9 | H91 | 93.4° | 59.6° |
| C20 | N8 | C9 | H92 | 16.2° | 60.2° |
| N8 | C20 | C21 | H201 | 125.2° | 120.0° |
| N8 | C20 | C21 | H202 | 125.2° | 120.0° |
| N8 | C20 | H201 | H202 | 116.7° | 120.0° |
| N8 | C20 | C21 | N24 | 18.5° | 180.0° |
| N8 | C20 | C21 | O53 | 163.4° | 0.0° |
| C10 | C9 | H91 | H92 | 117.6° | 119.9° |
| C9 | C10 | H101 | H102 | 116.4° | 120.1° |
| H91 | C9 | C10 | H101 | 162.0° | 178.6° |
| H91 | C9 | C10 | H102 | 52.5° | 61.2° |
| H92 | C9 | C10 | H101 | 52.5° | 61.5° |
| H92 | C9 | C10 | H102 | 57.0° | 58.6° |
| C21 | C20 | H201 | H202 | 116.8° | 120.0° |
| C20 | C21 | N24 | O53 | 178.1° | 180.0° |
| C20 | C21 | N24 | C25 | 175.6° | 173.9° |
| C20 | C21 | N24 | H24 | 4.4° | 6.0° |
| H201 | C20 | C21 | N24 | 106.7° | 60.0° |
| H201 | C20 | C21 | O53 | 71.4° | 120.0° |
| H202 | C20 | C21 | N24 | 143.8° | 60.0° |
| H202 | C20 | C21 | O53 | 38.1° | 120.0° |
| C21 | N24 | C25 | H24 | 180.0° | 179.9° |
| C21 | N24 | C25 | C26 | 2.8° | 29.3° |
| C21 | N24 | C25 | C30 | 180.0° | 150.9° |
| O53 | C21 | N24 | C25 | 2.5° | 6.1° |
| O53 | C21 | N24 | H24 | 177.5° | 174.0° |
| N24 | C25 | C26 | C30 | 177.0° | 179.7° |
| N24 | C25 | C26 | C27 | 176.7° | 180.0° |
| N24 | C25 | C26 | H26 | 3.4° | 0.0° |
| N24 | C25 | C30 | C29 | 177.2° | 179.7° |
| N24 | C25 | C30 | C33 | 2.0° | 0.6° |
| H24 | N24 | C25 | C26 | 177.2° | 150.6° |
| H24 | N24 | C25 | C30 | 0.0° | 29.1° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.1° |
| C25 | C26 | C27 | H27 | 179.6° | 180.0° |
| C26 | C25 | C30 | C29 | 0.2° | 0.6° |
| C26 | C25 | C30 | C33 | 175.3° | 179.7° |
| C30 | C25 | C26 | C27 | 0.3° | 0.3° |
| C30 | C25 | C26 | H26 | 179.6° | 179.7° |
| C25 | C30 | C29 | C28 | 0.1° | 0.5° |
| C25 | C30 | C29 | C33 | 176.1° | 179.3° |
| C25 | C30 | C29 | C31 | 176.1° | 179.6° |
| C25 | C30 | C33 | C32 | 174.6° | 179.5° |
| C25 | C30 | C33 | O54 | 6.6° | 0.6° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.4° | 0.1° |
| C26 | C27 | C28 | H28 | 179.6° | 180.0° |
| H26 | C26 | C27 | C28 | 179.5° | 180.0° |
| H26 | C26 | C27 | H27 | 0.4° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.2° | 0.2° |
| C27 | C28 | C29 | C31 | 174.8° | 180.0° |
| H27 | C27 | C28 | C29 | 179.7° | 180.0° |
| H27 | C27 | C28 | H28 | 0.4° | 0.1° |
| C28 | C29 | C30 | C31 | 176.2° | 179.9° |
| C28 | C29 | C30 | C33 | 176.2° | 179.8° |
| C28 | C29 | C31 | C32 | 174.4° | 179.9° |
| C28 | C29 | C31 | N55 | 1.1° | 0.1° |
| H28 | C28 | C29 | C30 | 179.8° | 179.7° |
| H28 | C28 | C29 | C31 | 5.3° | 0.1° |
| C30 | C29 | C31 | C32 | 1.0° | 0.2° |
| C30 | C29 | C31 | N55 | 176.6° | 179.8° |
| C29 | C30 | C33 | C32 | 1.0° | 0.3° |
| C29 | C30 | C33 | O54 | 177.9° | 179.8° |
| C31 | C29 | C30 | C33 | 0.0° | 0.3° |
| C29 | C31 | C32 | N55 | 176.9° | 180.0° |
| C29 | C31 | C32 | C33 | 1.7° | 0.0° |
| C29 | C31 | C32 | C35 | 176.7° | 180.0° |
| C29 | C31 | N55 | N34 | 175.9° | 180.0° |
| C30 | C33 | C32 | C31 | 1.6° | 0.2° |
| C30 | C33 | C32 | O54 | 178.9° | 179.9° |
| C30 | C33 | C32 | C35 | 176.0° | 179.8° |
| C31 | C32 | C33 | C35 | 177.6° | 179.9° |
| C31 | C32 | C33 | O54 | 177.3° | 179.9° |
| C31 | C32 | C35 | N34 | 0.7° | 0.0° |
| C32 | C31 | N55 | N34 | 0.4° | 0.0° |
| C31 | C32 | C35 | C36 | 179.2° | 180.0° |
| N55 | C31 | C32 | C33 | 178.6° | 180.0° |
| N55 | C31 | C32 | C35 | 0.2° | 0.0° |
| C31 | N55 | N34 | C35 | 0.9° | 0.0° |
| C31 | N55 | N34 | H34 | 179.1° | 180.0° |
| C33 | C32 | C35 | N34 | 178.3° | 179.9° |
| C33 | C32 | C35 | C36 | 3.2° | 0.1° |
| C35 | C32 | C33 | O54 | 5.2° | 0.1° |
| C32 | C35 | N34 | C36 | 178.6° | 180.0° |
| C32 | C35 | N34 | N55 | 1.0° | 0.0° |
| C32 | C35 | N34 | H34 | 179.0° | 180.0° |
| C32 | C35 | C36 | C37 | 166.6° | 120.0° |
| C32 | C35 | C36 | C41 | 56.4° | 120.0° |
| C32 | C35 | C36 | H36 | 54.9° | 0.0° |
| C35 | N34 | N55 | H34 | 180.0° | 180.0° |
| N34 | C35 | C36 | C37 | 11.6° | 60.0° |
| N34 | C35 | C36 | C41 | 125.4° | 60.0° |
| N34 | C35 | C36 | H36 | 123.3° | 179.9° |
| N55 | N34 | C35 | C36 | 179.6° | 180.0° |
| H34 | N34 | C35 | C36 | 0.4° | 0.0° |
| C35 | C36 | C37 | C41 | 138.7° | 120.0° |
| C35 | C36 | C37 | H36 | 108.4° | 120.0° |
| C35 | C36 | C41 | H36 | 108.2° | 120.0° |
| C35 | C36 | C37 | C38 | 171.4° | 180.0° |
| C35 | C36 | C37 | H371 | 46.1° | 59.9° |
| C35 | C36 | C37 | H372 | 63.4° | 60.0° |
| C35 | C36 | C41 | C40 | 171.8° | 180.0° |
| C35 | C36 | C41 | H411 | 63.0° | 60.0° |
| C35 | C36 | C41 | H412 | 46.5° | 59.9° |
| C37 | C36 | C41 | H36 | 113.2° | 120.0° |
| C36 | C37 | C38 | H371 | 125.2° | 120.0° |
| C36 | C37 | C38 | H372 | 125.3° | 120.0° |
| C36 | C37 | H371 | H372 | 116.8° | 119.9° |
| C36 | C37 | C38 | C39 | 53.5° | 60.0° |
| C36 | C37 | C38 | H381 | 71.8° | 60.0° |
| C36 | C37 | C38 | H382 | 178.8° | 180.0° |
| C37 | C36 | C41 | C40 | 49.7° | 59.9° |
| C37 | C36 | C41 | H411 | 75.5° | 60.0° |
| C37 | C36 | C41 | H412 | 174.9° | 180.0° |
| C41 | C36 | C37 | C38 | 49.9° | 60.0° |
| C41 | C36 | C37 | H371 | 175.1° | 180.0° |
| C41 | C36 | C37 | H372 | 75.3° | 60.0° |
| C36 | C41 | C40 | C39 | 53.0° | 60.0° |
| C36 | C41 | C40 | H411 | 125.2° | 119.9° |
| C36 | C41 | C40 | H412 | 125.3° | 120.0° |
| C36 | C41 | C40 | H401 | 72.2° | 60.0° |
| C36 | C41 | C40 | H402 | 178.2° | 180.0° |
| C36 | C41 | H411 | H412 | 116.9° | 120.0° |
| H36 | C36 | C37 | C38 | 63.0° | 60.0° |
| H36 | C36 | C37 | H371 | 62.2° | 60.1° |
| H36 | C36 | C37 | H372 | 171.8° | 180.0° |
| H36 | C36 | C41 | C40 | 63.5° | 60.0° |
| H36 | C36 | C41 | H411 | 171.3° | 180.0° |
| H36 | C36 | C41 | H412 | 61.7° | 60.0° |
| C38 | C37 | H371 | H372 | 116.7° | 120.1° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.3° | 120.0° |
| C37 | C38 | H381 | H382 | 117.6° | 120.0° |
| C37 | C38 | C39 | C40 | 57.1° | 60.0° |
| C37 | C38 | C39 | H391 | 177.7° | 180.0° |
| C37 | C38 | C39 | H392 | 68.2° | 60.0° |
| H371 | C37 | C38 | C39 | 178.8° | 180.0° |
| H371 | C37 | C38 | H381 | 53.5° | 60.0° |
| H371 | C37 | C38 | H382 | 55.9° | 60.0° |
| H372 | C37 | C38 | C39 | 71.8° | 60.0° |
| H372 | C37 | C38 | H381 | 162.9° | 180.0° |
| H372 | C37 | C38 | H382 | 53.5° | 60.0° |
| C39 | C38 | H381 | H382 | 117.6° | 120.0° |
| C38 | C39 | C40 | H391 | 125.2° | 120.0° |
| C38 | C39 | C40 | H392 | 125.3° | 120.0° |
| C38 | C39 | H391 | H392 | 117.4° | 120.0° |
| C38 | C39 | C40 | C41 | 56.9° | 60.0° |
| C38 | C39 | C40 | H401 | 68.4° | 60.0° |
| C38 | C39 | C40 | H402 | 177.8° | 180.0° |
| H381 | C38 | C39 | C40 | 68.2° | 60.1° |
| H381 | C38 | C39 | H391 | 57.0° | 60.0° |
| H381 | C38 | C39 | H392 | 166.5° | 180.0° |
| H382 | C38 | C39 | C40 | 177.6° | 179.9° |
| H382 | C38 | C39 | H391 | 52.4° | 60.0° |
| H382 | C38 | C39 | H392 | 57.1° | 60.0° |
| C40 | C39 | H391 | H392 | 117.4° | 120.0° |
| C39 | C40 | C41 | H401 | 125.2° | 120.0° |
| C39 | C40 | C41 | H402 | 125.3° | 120.0° |
| C39 | C40 | H401 | H402 | 117.6° | 120.0° |
| C39 | C40 | C41 | H411 | 72.2° | 60.0° |
| C39 | C40 | C41 | H412 | 178.3° | 180.0° |
| H391 | C39 | C40 | C41 | 177.9° | 180.0° |
| H391 | C39 | C40 | H401 | 56.8° | 60.0° |
| H391 | C39 | C40 | H402 | 52.6° | 59.9° |
| H392 | C39 | C40 | C41 | 68.4° | 60.0° |
| H392 | C39 | C40 | H401 | 166.3° | 180.0° |
| H392 | C39 | C40 | H402 | 56.9° | 60.1° |
| C41 | C40 | H401 | H402 | 117.7° | 120.0° |
| C40 | C41 | H411 | H412 | 116.8° | 120.1° |
| H401 | C40 | C41 | H411 | 162.5° | 179.9° |
| H401 | C40 | C41 | H412 | 53.1° | 60.0° |
| H402 | C40 | C41 | H411 | 53.0° | 60.1° |
| H402 | C40 | C41 | H412 | 56.5° | 60.0° |
