NPK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.34Å | 1.33Å | |
| N1 | C5 | sing | 1.47Å | 1.48Å | |
| N1 | C30 | sing | 1.35Å | 1.35Å | |
| S1 | C2 | sing | 1.84Å | 1.77Å | |
| S1 | C6 | sing | 1.84Å | 1.76Å | |
| C2 | C4 | sing | 1.54Å | 1.52Å | |
| C2 | C7 | sing | 1.53Å | 1.50Å | |
| N2 | C3 | sing | 1.34Å | 1.24Å | |
| N2 | C4 | sing | 1.47Å | 1.44Å | |
| C3 | O3 | doub | 1.22Å | 1.25Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.30Å | |
| C10 | C11 | sing | 1.51Å | 1.47Å | |
| C11 | O11 | doub | 1.21Å | 1.22Å | |
| C11 | O12 | sing | 1.34Å | 1.27Å | |
| C30 | O31 | doub | 1.21Å | 1.22Å | |
| C30 | O32 | sing | 1.35Å | 1.42Å | |
| O32 | C33 | sing | 1.45Å | 1.39Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C40 | sing | 1.38Å | 1.53Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.37Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.47Å | Aromatic |
| C37 | O44 | sing | 1.36Å | 1.38Å | |
| C38 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | O46 | sing | 1.36Å | 1.36Å | |
| C39 | C40 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | N40 | sing | 1.48Å | 1.42Å | |
| N40 | O54 | doub | 1.22Å | 1.23Å | |
| N40 | O55 | sing | 1.22Å | 1.23Å | |
| O44 | C45 | sing | 1.44Å | 1.45Å | |
| C45 | O46 | sing | 1.44Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C5 | 113.4° | 109.1° |
| C3 | N1 | C30 | 121.0° | 125.5° |
| N1 | C3 | N2 | 105.9° | 113.9° |
| N1 | C3 | O3 | 128.1° | 123.1° |
| C5 | N1 | C30 | 125.5° | 125.5° |
| N1 | C5 | C4 | 97.8° | 104.0° |
| N1 | C5 | C6 | 110.8° | 109.2° |
| N1 | C5 | H5 | 112.9° | 110.3° |
| N1 | C30 | O31 | 127.2° | 120.0° |
| N1 | C30 | O32 | 118.0° | 120.0° |
| C2 | S1 | C6 | 98.2° | 94.8° |
| S1 | C2 | C4 | 107.6° | 102.7° |
| S1 | C2 | C7 | 110.7° | 110.8° |
| S1 | C2 | H2 | 106.2° | 110.8° |
| S1 | C6 | C5 | 108.8° | 102.7° |
| S1 | C6 | H6 | 109.6° | 110.8° |
| S1 | C6 | H6A | 109.6° | 110.8° |
| C4 | C2 | C7 | 113.9° | 110.8° |
| C2 | C4 | N2 | 93.5° | 109.2° |
| C2 | C4 | C5 | 113.8° | 112.4° |
| C4 | C2 | H2 | 108.9° | 110.8° |
| C2 | C4 | H4 | 114.7° | 110.2° |
| C2 | C7 | C8 | 110.3° | 109.5° |
| C7 | C2 | H2 | 109.2° | 110.8° |
| C2 | C7 | H7 | 109.3° | 109.5° |
| C2 | C7 | H7A | 109.3° | 109.5° |
| C3 | N2 | C4 | 117.0° | 109.0° |
| N2 | C3 | O3 | 125.8° | 123.0° |
| C3 | N2 | HN2 | 121.5° | 125.5° |
| N2 | C4 | C5 | 101.8° | 104.0° |
| C4 | N2 | HN2 | 121.5° | 125.5° |
| N2 | C4 | H4 | 116.1° | 110.2° |
| C4 | C5 | C6 | 110.4° | 112.4° |
| C5 | C4 | H4 | 114.6° | 110.6° |
| C4 | C5 | H5 | 112.3° | 110.2° |
| C6 | C5 | H5 | 112.0° | 110.5° |
| C5 | C6 | H6 | 109.7° | 110.7° |
| C5 | C6 | H6A | 109.6° | 110.7° |
| C7 | C8 | C9 | 97.0° | 109.5° |
| C8 | C7 | H7 | 109.3° | 109.5° |
| C8 | C7 | H7A | 109.3° | 109.4° |
| C7 | C8 | H8 | 112.5° | 109.5° |
| C7 | C8 | H8A | 112.5° | 109.5° |
| C8 | C9 | C10 | 133.5° | 109.5° |
| C9 | C8 | H8 | 112.5° | 109.5° |
| C9 | C8 | H8A | 112.5° | 109.5° |
| C8 | C9 | H9 | 103.2° | 109.5° |
| C8 | C9 | H9A | 103.2° | 109.5° |
| C9 | C10 | C11 | 100.8° | 109.5° |
| C10 | C9 | H9 | 103.1° | 109.5° |
| C10 | C9 | H9A | 103.1° | 109.4° |
| C9 | C10 | H10 | 111.6° | 109.5° |
| C9 | C10 | H10A | 111.6° | 109.5° |
| C10 | C11 | O11 | 120.9° | 120.0° |
| C10 | C11 | O12 | 119.9° | 120.0° |
| C11 | C10 | H10 | 111.6° | 109.5° |
| C11 | C10 | H10A | 111.6° | 109.5° |
| O11 | C11 | O12 | 119.2° | 120.0° |
| C11 | O12 | HO12 | 109.5° | 117.0° |
| O31 | C30 | O32 | 114.5° | 120.1° |
| C30 | O32 | C33 | 122.0° | 116.9° |
| O32 | C33 | C34 | 108.1° | 109.5° |
| O32 | C33 | C35 | 128.2° | 109.5° |
| O32 | C33 | H33 | 101.7° | 109.5° |
| C34 | C33 | C35 | 112.7° | 109.4° |
| C34 | C33 | H33 | 100.5° | 109.5° |
| C33 | C34 | H34 | 109.5° | 109.5° |
| C33 | C34 | H34A | 109.5° | 109.4° |
| C33 | C34 | H34B | 109.5° | 109.5° |
| C33 | C35 | C36 | 107.0° | 119.9° |
| C33 | C35 | C40 | 132.6° | 119.9° |
| C35 | C33 | H33 | 100.8° | 109.5° |
| C36 | C35 | C40 | 119.5° | 120.1° |
| C35 | C36 | C37 | 119.9° | 120.0° |
| C35 | C36 | H36 | 120.1° | 120.0° |
| C35 | C40 | C39 | 120.0° | 120.1° |
| C35 | C40 | N40 | 125.2° | 119.9° |
| C36 | C37 | C38 | 119.8° | 119.8° |
| C36 | C37 | O44 | 128.5° | 131.5° |
| C37 | C36 | H36 | 120.1° | 120.0° |
| C38 | C37 | O44 | 111.7° | 108.7° |
| C37 | C38 | C39 | 124.1° | 119.8° |
| C37 | C38 | O46 | 105.5° | 108.6° |
| C37 | O44 | C45 | 106.2° | 105.5° |
| C39 | C38 | O46 | 130.4° | 131.6° |
| C38 | C39 | C40 | 116.5° | 120.1° |
| C38 | C39 | H39 | 121.8° | 120.0° |
| C38 | O46 | C45 | 110.2° | 105.5° |
| C39 | C40 | N40 | 114.5° | 119.9° |
| C40 | C39 | H39 | 121.7° | 119.9° |
| C40 | N40 | O54 | 125.3° | 120.0° |
| C40 | N40 | O55 | 115.6° | 119.9° |
| O54 | N40 | O55 | 118.8° | 120.1° |
| O44 | C45 | O46 | 106.4° | 103.7° |
| O44 | C45 | H45 | 110.3° | 110.6° |
| O44 | C45 | H45A | 110.3° | 110.6° |
| O46 | C45 | H45 | 110.2° | 110.5° |
| O46 | C45 | H45A | 110.2° | 110.5° |
| H6 | C6 | H6A | 109.5° | 110.8° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.4° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H34 | C34 | H34A | 109.4° | 109.5° |
| H34 | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C5 | C30 | 176.1° | 179.7° |
| N1 | C3 | N2 | O3 | 176.6° | 180.0° |
| N1 | C3 | N2 | C4 | 5.6° | 0.0° |
| C3 | N1 | C5 | C4 | 20.9° | 0.0° |
| C3 | N1 | C5 | C6 | 94.4° | 120.2° |
| C3 | N1 | C30 | O31 | 4.0° | 180.0° |
| C3 | N1 | C30 | O32 | 177.6° | 0.1° |
| N1 | C3 | N2 | HN2 | 174.3° | 179.9° |
| C3 | N1 | C5 | H5 | 139.1° | 118.2° |
| N1 | C5 | C6 | S1 | 113.6° | 139.5° |
| N1 | C5 | C4 | C2 | 114.5° | 118.0° |
| C5 | N1 | C3 | N2 | 17.6° | 0.0° |
| N1 | C5 | C4 | N2 | 15.3° | 0.0° |
| C5 | N1 | C3 | O3 | 158.9° | 180.0° |
| N1 | C5 | C4 | C6 | 115.6° | 118.0° |
| N1 | C5 | C4 | H5 | 118.7° | 118.2° |
| N1 | C5 | C6 | H5 | 127.0° | 121.5° |
| C5 | N1 | C30 | O31 | 179.9° | 0.3° |
| C5 | N1 | C30 | O32 | 6.6° | 179.7° |
| N1 | C5 | C4 | H4 | 110.9° | 118.3° |
| N1 | C5 | C6 | H6 | 6.3° | 21.2° |
| N1 | C5 | C6 | H6A | 126.6° | 102.1° |
| C30 | N1 | C3 | N2 | 158.7° | 179.7° |
| C30 | N1 | C3 | O3 | 24.8° | 0.3° |
| C30 | N1 | C5 | C4 | 155.2° | 179.7° |
| C30 | N1 | C5 | C6 | 89.5° | 60.1° |
| N1 | C30 | O31 | O32 | 173.8° | 180.0° |
| N1 | C30 | O32 | C33 | 120.5° | 180.0° |
| C30 | N1 | C5 | H5 | 37.0° | 61.6° |
| S1 | C2 | C4 | C7 | 123.2° | 118.3° |
| S1 | C2 | C4 | H2 | 114.7° | 118.3° |
| S1 | C2 | C7 | H2 | 116.5° | 123.3° |
| S1 | C2 | C4 | N2 | 112.6° | 139.6° |
| S1 | C2 | C4 | C5 | 8.1° | 24.6° |
| C2 | S1 | C6 | C5 | 10.0° | 34.7° |
| S1 | C2 | C7 | C8 | 103.1° | 66.4° |
| S1 | C2 | C4 | H4 | 126.5° | 99.2° |
| C2 | S1 | C6 | H6 | 109.9° | 83.6° |
| C2 | S1 | C6 | H6A | 129.9° | 153.0° |
| S1 | C2 | C7 | H7 | 136.8° | 173.5° |
| S1 | C2 | C7 | H7A | 17.1° | 53.5° |
| C6 | S1 | C2 | C4 | 10.5° | 34.7° |
| C6 | S1 | C2 | C7 | 135.6° | 153.0° |
| S1 | C6 | C5 | C4 | 6.4° | 24.6° |
| S1 | C6 | C5 | H6 | 119.9° | 118.3° |
| S1 | C6 | C5 | H6A | 119.9° | 118.4° |
| C6 | S1 | C2 | H2 | 106.0° | 83.6° |
| S1 | C6 | C5 | H5 | 119.5° | 99.0° |
| S1 | C6 | H6 | H6A | 120.3° | 123.4° |
| C4 | C2 | C7 | H2 | 122.0° | 123.4° |
| C2 | C4 | N2 | C3 | 122.7° | 120.2° |
| C2 | C4 | N2 | C5 | 115.2° | 120.2° |
| C2 | C4 | N2 | H4 | 119.7° | 121.2° |
| C2 | C4 | C5 | H4 | 134.6° | 123.6° |
| C2 | C4 | C5 | C6 | 1.2° | 0.0° |
| C4 | C2 | C7 | C8 | 135.5° | 179.7° |
| C2 | C4 | N2 | HN2 | 57.4° | 59.7° |
| C2 | C4 | C5 | H5 | 126.8° | 123.8° |
| C4 | C2 | C7 | H7 | 15.3° | 60.2° |
| C4 | C2 | C7 | H7A | 104.4° | 59.8° |
| C7 | C2 | C4 | N2 | 124.2° | 102.1° |
| C7 | C2 | C4 | C5 | 131.3° | 142.9° |
| C2 | C7 | C8 | H7 | 120.1° | 120.0° |
| C2 | C7 | C8 | H7A | 120.2° | 120.0° |
| C2 | C7 | C8 | C9 | 171.2° | 180.0° |
| C7 | C2 | C4 | H4 | 3.3° | 19.1° |
| C2 | C7 | H7 | H7A | 119.6° | 120.0° |
| C2 | C7 | C8 | H8 | 53.3° | 60.0° |
| C2 | C7 | C8 | H8A | 70.9° | 60.0° |
| C3 | N2 | C4 | HN2 | 180.0° | 179.9° |
| C3 | N2 | C4 | C5 | 7.5° | 0.0° |
| C3 | N2 | C4 | H4 | 117.6° | 118.6° |
| C4 | N2 | C3 | O3 | 171.0° | 180.0° |
| N2 | C4 | C5 | H4 | 126.2° | 118.3° |
| N2 | C4 | C5 | C6 | 100.4° | 118.0° |
| N2 | C4 | C2 | H2 | 2.0° | 21.3° |
| N2 | C4 | C5 | H5 | 134.0° | 118.2° |
| O3 | C3 | N2 | HN2 | 9.0° | 0.1° |
| C4 | C5 | C6 | H5 | 125.8° | 123.6° |
| C5 | C4 | C2 | H2 | 106.6° | 93.7° |
| C5 | C4 | N2 | HN2 | 172.5° | 179.9° |
| C4 | C5 | C6 | H6 | 113.5° | 93.7° |
| C4 | C5 | C6 | H6A | 126.3° | 143.0° |
| C6 | C5 | C4 | H4 | 133.5° | 123.6° |
| C5 | C6 | H6 | H6A | 120.3° | 123.3° |
| C7 | C8 | C9 | H8 | 117.9° | 120.0° |
| C7 | C8 | C9 | H8A | 117.9° | 120.1° |
| C7 | C8 | C9 | C10 | 165.8° | 180.0° |
| C8 | C7 | C2 | H2 | 13.5° | 56.9° |
| C8 | C7 | H7 | H7A | 119.6° | 120.0° |
| C7 | C8 | H8 | H8A | 125.8° | 120.0° |
| C7 | C8 | C9 | H9 | 71.1° | 60.0° |
| C7 | C8 | C9 | H9A | 42.8° | 60.0° |
| C8 | C9 | C10 | H9 | 123.0° | 120.0° |
| C8 | C9 | C10 | H9A | 123.0° | 120.0° |
| C8 | C9 | C10 | C11 | 178.4° | 180.0° |
| C9 | C8 | C7 | H7 | 68.7° | 60.0° |
| C9 | C8 | C7 | H7A | 51.0° | 60.0° |
| C9 | C8 | H8 | H8A | 125.9° | 119.9° |
| C8 | C9 | H9 | H9A | 109.3° | 120.0° |
| C8 | C9 | C10 | H10 | 59.8° | 60.0° |
| C8 | C9 | C10 | H10A | 63.0° | 59.9° |
| C9 | C10 | C11 | H10 | 118.6° | 120.0° |
| C9 | C10 | C11 | H10A | 118.6° | 120.0° |
| C9 | C10 | C11 | O11 | 133.3° | 0.0° |
| C9 | C10 | C11 | O12 | 43.8° | 180.0° |
| C10 | C9 | C8 | H8 | 47.9° | 60.0° |
| C10 | C9 | C8 | H8A | 76.3° | 59.9° |
| C10 | C9 | H9 | H9A | 109.3° | 120.0° |
| C9 | C10 | H10 | H10A | 124.0° | 120.0° |
| C10 | C11 | O11 | O12 | 177.1° | 180.0° |
| C11 | C10 | C9 | H9 | 58.6° | 60.0° |
| C11 | C10 | C9 | H9A | 55.4° | 60.0° |
| C11 | C10 | H10 | H10A | 124.0° | 120.0° |
| C10 | C11 | O12 | HO12 | 177.2° | 180.0° |
| O11 | C11 | C10 | H10 | 14.7° | 120.0° |
| O11 | C11 | C10 | H10A | 108.1° | 120.1° |
| O11 | C11 | O12 | HO12 | 0.0° | 0.0° |
| O12 | C11 | C10 | H10 | 162.4° | 60.0° |
| O12 | C11 | C10 | H10A | 74.8° | 59.9° |
| O31 | C30 | O32 | C33 | 65.1° | 0.0° |
| C30 | O32 | C33 | C34 | 161.1° | 90.0° |
| C30 | O32 | C33 | C35 | 20.4° | 150.0° |
| C30 | O32 | C33 | H33 | 93.6° | 30.0° |
| O32 | C33 | C34 | C35 | 147.3° | 120.0° |
| O32 | C33 | C34 | H33 | 106.1° | 120.0° |
| O32 | C33 | C35 | H33 | 114.4° | 120.0° |
| O32 | C33 | C35 | C36 | 104.3° | 21.3° |
| O32 | C33 | C35 | C40 | 86.8° | 159.0° |
| O32 | C33 | C34 | H34 | 180.0° | 59.9° |
| O32 | C33 | C34 | H34A | 60.0° | 60.0° |
| O32 | C33 | C34 | H34B | 60.0° | 180.0° |
| C34 | C33 | C35 | H33 | 106.3° | 120.0° |
| C34 | C33 | C35 | C36 | 116.4° | 98.7° |
| C34 | C33 | C35 | C40 | 52.4° | 81.0° |
| C33 | C34 | H34 | H34A | 120.0° | 119.9° |
| C33 | C34 | H34 | H34B | 120.0° | 120.0° |
| C33 | C34 | H34A | H34B | 120.0° | 120.0° |
| C33 | C35 | C36 | C40 | 170.6° | 179.7° |
| C33 | C35 | C36 | C37 | 174.8° | 180.0° |
| C33 | C35 | C40 | C39 | 172.0° | 179.8° |
| C33 | C35 | C40 | N40 | 14.2° | 0.1° |
| C35 | C33 | C34 | H34 | 32.7° | 60.1° |
| C35 | C33 | C34 | H34A | 87.3° | 180.0° |
| C35 | C33 | C34 | H34B | 152.7° | 60.0° |
| C33 | C35 | C36 | H36 | 5.2° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 2.2° | 0.0° |
| C35 | C36 | C37 | O44 | 178.1° | 180.0° |
| C36 | C35 | C40 | C39 | 4.3° | 0.5° |
| C36 | C35 | C40 | N40 | 178.1° | 179.8° |
| C36 | C35 | C33 | H33 | 10.1° | 141.3° |
| C40 | C35 | C36 | C37 | 4.1° | 0.3° |
| C35 | C40 | C39 | C38 | 2.2° | 0.5° |
| C35 | C40 | C39 | N40 | 174.4° | 179.7° |
| C35 | C40 | N40 | O54 | 26.7° | 175.2° |
| C35 | C40 | N40 | O55 | 148.2° | 4.7° |
| C40 | C35 | C33 | H33 | 158.8° | 39.0° |
| C40 | C35 | C36 | H36 | 175.9° | 179.7° |
| C35 | C40 | C39 | H39 | 177.8° | 179.7° |
| C36 | C37 | C38 | O44 | 179.7° | 180.0° |
| C36 | C37 | C38 | C39 | 0.2° | 0.0° |
| C36 | C37 | C38 | O46 | 179.7° | 179.9° |
| C36 | C37 | O44 | C45 | 178.6° | 162.8° |
| C37 | C38 | C39 | O46 | 179.9° | 180.0° |
| C37 | C38 | C39 | C40 | 0.3° | 0.2° |
| C38 | C37 | O44 | C45 | 1.1° | 17.3° |
| C37 | C38 | O46 | C45 | 1.1° | 17.3° |
| C38 | C37 | C36 | H36 | 177.8° | 180.0° |
| C37 | C38 | C39 | H39 | 179.7° | 180.0° |
| O44 | C37 | C38 | C39 | 179.9° | 180.0° |
| O44 | C37 | C38 | O46 | 0.0° | 0.0° |
| C37 | O44 | C45 | O46 | 1.7° | 27.1° |
| O44 | C37 | C36 | H36 | 1.9° | 0.0° |
| C37 | O44 | C45 | H45 | 117.8° | 145.6° |
| C37 | O44 | C45 | H45A | 121.2° | 91.4° |
| C38 | C39 | C40 | H39 | 180.0° | 179.8° |
| C38 | C39 | C40 | N40 | 176.7° | 179.8° |
| C39 | C38 | O46 | C45 | 178.8° | 162.7° |
| O46 | C38 | C39 | C40 | 179.6° | 179.8° |
| C38 | O46 | C45 | O44 | 1.8° | 27.1° |
| O46 | C38 | C39 | H39 | 0.4° | 0.0° |
| C38 | O46 | C45 | H45 | 117.7° | 145.7° |
| C38 | O46 | C45 | H45A | 121.3° | 91.5° |
| C39 | C40 | N40 | O54 | 159.2° | 5.1° |
| C39 | C40 | N40 | O55 | 25.9° | 175.0° |
| C40 | N40 | O54 | O55 | 174.7° | 179.9° |
| N40 | C40 | C39 | H39 | 3.3° | 0.0° |
| O44 | C45 | O46 | H45 | 119.5° | 118.6° |
| O44 | C45 | O46 | H45A | 119.5° | 118.6° |
| O44 | C45 | H45 | H45A | 121.5° | 122.9° |
| O46 | C45 | H45 | H45A | 121.4° | 122.7° |
| H2 | C2 | C4 | H4 | 118.8° | 142.5° |
| H2 | C2 | C7 | H7 | 106.7° | 63.1° |
| H2 | C2 | C7 | H7A | 133.6° | 176.9° |
| HN2 | N2 | C4 | H4 | 62.3° | 61.5° |
| H4 | C4 | C5 | H5 | 7.8° | 0.2° |
| H5 | C5 | C6 | H6 | 120.7° | 142.7° |
| H5 | C5 | C6 | H6A | 0.4° | 19.3° |
| H7 | C7 | C8 | H8 | 173.4° | 180.0° |
| H7 | C7 | C8 | H8A | 49.3° | 60.0° |
| H7A | C7 | C8 | H8 | 66.9° | 60.0° |
| H7A | C7 | C8 | H8A | 169.0° | 180.0° |
| H8 | C8 | C9 | H9 | 171.0° | 180.0° |
| H8 | C8 | C9 | H9A | 75.1° | 60.0° |
| H8A | C8 | C9 | H9 | 46.8° | 60.1° |
| H8A | C8 | C9 | H9A | 160.7° | 179.9° |
| H9 | C9 | C10 | H10 | 177.1° | 180.0° |
| H9 | C9 | C10 | H10A | 60.0° | 60.1° |
| H9A | C9 | C10 | H10 | 63.2° | 60.0° |
| H9A | C9 | C10 | H10A | 174.0° | 179.9° |
| H33 | C33 | C34 | H34 | 73.9° | 179.9° |
| H33 | C33 | C34 | H34A | 166.1° | 60.0° |
| H33 | C33 | C34 | H34B | 46.1° | 60.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
