IH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C1 | sing | 1.47Å | 1.60Å | |
| N9 | C12 | sing | 1.35Å | 1.33Å | |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | sing | 1.53Å | 1.38Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| N10 | C8 | sing | 1.37Å | 1.31Å | |
| N10 | H101 | sing | 0.97Å | 1.02Å | |
| N10 | H102 | sing | 0.97Å | 1.02Å | |
| N11 | C8 | doub | 1.29Å | 1.35Å | |
| N11 | HN11 | sing | 0.97Å | 1.02Å | |
| C8 | C5 | sing | 1.51Å | 1.38Å | |
| C2 | C7 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C7 | C6 | sing | 1.53Å | 1.45Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C5 | C4 | sing | 1.53Å | 1.46Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C4 | C3 | sing | 1.53Å | 1.40Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32A | sing | 1.09Å | 1.12Å | |
| C17 | N18 | sing | 1.47Å | 1.36Å | |
| C17 | C15 | sing | 1.51Å | 1.56Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| N18 | C20 | sing | 1.33Å | 1.35Å | Aromatic |
| N18 | N19 | sing | 1.42Å | 1.32Å | Aromatic |
| C20 | O20 | doub | 1.22Å | 1.22Å | |
| C20 | N21 | sing | 1.35Å | 1.30Å | Aromatic |
| N21 | C22 | sing | 1.35Å | 1.37Å | Aromatic |
| N21 | C23 | sing | 1.47Å | 1.41Å | |
| C22 | O22 | doub | 1.22Å | 1.14Å | |
| C22 | N19 | sing | 1.33Å | 1.28Å | Aromatic |
| N19 | C13 | sing | 1.47Å | 1.48Å | |
| C13 | C14 | sing | 1.51Å | 1.38Å | |
| C13 | C12 | sing | 1.51Å | 1.60Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | doub | 1.31Å | 1.28Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.41Å | |
| C12 | O12 | doub | 1.21Å | 1.41Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.58Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.51Å | 1.60Å | |
| C24 | C31 | sing | 1.51Å | 1.48Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | doub | 1.38Å | 1.29Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.48Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | sing | 1.38Å | 1.49Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C25 | doub | 1.38Å | 1.48Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.38Å | 1.30Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.49Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.49Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.38Å | 1.35Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C31 | doub | 1.38Å | 1.43Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.38Å | 1.48Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N9 | C12 | 127.1° | 120.1° |
| C1 | N9 | HN9 | 126.8° | 119.9° |
| N9 | C1 | C2 | 110.2° | 109.5° |
| N9 | C1 | H11 | 112.0° | 109.5° |
| N9 | C1 | H12 | 112.0° | 109.4° |
| C12 | N9 | HN9 | 106.0° | 120.0° |
| N9 | C12 | C13 | 121.7° | 120.0° |
| N9 | C12 | O12 | 120.2° | 120.0° |
| C2 | C1 | H11 | 111.9° | 109.5° |
| C2 | C1 | H12 | 112.0° | 109.5° |
| C1 | C2 | C7 | 105.9° | 109.5° |
| C1 | C2 | C3 | 108.6° | 109.5° |
| C1 | C2 | H2 | 113.8° | 109.5° |
| H11 | C1 | H12 | 98.4° | 109.4° |
| C8 | N10 | H101 | 119.4° | 120.0° |
| C8 | N10 | H102 | 108.6° | 120.0° |
| N10 | C8 | N11 | 119.4° | 120.0° |
| N10 | C8 | C5 | 127.1° | 120.0° |
| H101 | N10 | H102 | 108.6° | 120.0° |
| C8 | N11 | HN11 | 103.1° | 120.0° |
| N11 | C8 | C5 | 113.3° | 120.0° |
| C8 | C5 | C6 | 121.5° | 109.5° |
| C8 | C5 | C4 | 120.0° | 109.5° |
| C8 | C5 | H5 | 64.3° | 109.5° |
| C7 | C2 | C3 | 113.5° | 109.5° |
| C7 | C2 | H2 | 109.0° | 109.4° |
| C2 | C7 | C6 | 103.8° | 109.5° |
| C2 | C7 | H71 | 114.3° | 109.5° |
| C2 | C7 | H72 | 114.3° | 109.4° |
| C3 | C2 | H2 | 106.2° | 109.5° |
| C2 | C3 | C4 | 107.3° | 109.4° |
| C2 | C3 | H31 | 113.0° | 109.5° |
| C2 | C3 | H32A | 113.0° | 109.4° |
| C6 | C7 | H71 | 114.4° | 109.5° |
| C6 | C7 | H72 | 114.4° | 109.5° |
| C7 | C6 | C5 | 113.0° | 109.5° |
| C7 | C6 | H61 | 110.9° | 109.5° |
| C7 | C6 | H62 | 110.9° | 109.5° |
| H71 | C7 | H72 | 96.2° | 109.4° |
| C5 | C6 | H61 | 110.9° | 109.5° |
| C5 | C6 | H62 | 110.9° | 109.5° |
| C6 | C5 | C4 | 118.5° | 109.4° |
| C6 | C5 | H5 | 91.0° | 109.5° |
| H61 | C6 | H62 | 99.4° | 109.5° |
| C4 | C5 | H5 | 117.8° | 109.4° |
| C5 | C4 | C3 | 125.8° | 109.5° |
| C5 | C4 | H41 | 106.5° | 109.5° |
| C5 | C4 | H42 | 106.5° | 109.5° |
| C3 | C4 | H41 | 106.5° | 109.5° |
| C3 | C4 | H42 | 106.5° | 109.5° |
| C4 | C3 | H31 | 113.0° | 109.5° |
| C4 | C3 | H32A | 113.0° | 109.5° |
| H41 | C4 | H42 | 103.1° | 109.4° |
| H31 | C3 | H32A | 97.4° | 109.5° |
| N18 | C17 | C15 | 112.9° | 107.3° |
| N18 | C17 | H171 | 111.0° | 109.9° |
| N18 | C17 | H172 | 111.0° | 109.9° |
| C17 | N18 | C20 | 124.5° | 131.9° |
| C17 | N18 | N19 | 123.9° | 120.9° |
| C15 | C17 | H171 | 111.0° | 110.3° |
| C15 | C17 | H172 | 110.9° | 109.6° |
| C17 | C15 | C14 | 119.3° | 122.4° |
| C17 | C15 | C16 | 119.2° | 118.8° |
| H171 | C17 | H172 | 99.4° | 109.9° |
| C20 | N18 | N19 | 110.8° | 107.2° |
| N18 | C20 | O20 | 134.9° | 126.0° |
| N18 | C20 | N21 | 104.9° | 108.1° |
| N18 | N19 | C22 | 106.8° | 107.2° |
| N18 | N19 | C13 | 118.0° | 120.9° |
| O20 | C20 | N21 | 120.2° | 125.9° |
| C20 | N21 | C22 | 108.9° | 109.3° |
| C20 | N21 | C23 | 120.2° | 125.3° |
| C22 | N21 | C23 | 130.8° | 125.4° |
| N21 | C22 | O22 | 122.9° | 125.9° |
| N21 | C22 | N19 | 108.5° | 108.1° |
| N21 | C23 | C24 | 104.5° | 109.5° |
| N21 | C23 | H231 | 114.1° | 109.4° |
| N21 | C23 | H232 | 114.1° | 109.5° |
| O22 | C22 | N19 | 128.6° | 125.9° |
| C22 | N19 | C13 | 124.5° | 131.9° |
| N19 | C13 | C14 | 111.0° | 107.5° |
| N19 | C13 | C12 | 118.4° | 109.9° |
| N19 | C13 | H13 | 104.9° | 109.9° |
| C14 | C13 | C12 | 117.2° | 109.9° |
| C14 | C13 | H13 | 106.5° | 109.8° |
| C13 | C14 | C15 | 121.2° | 122.3° |
| C13 | C14 | H14 | 123.1° | 118.8° |
| C12 | C13 | H13 | 96.0° | 109.9° |
| C13 | C12 | O12 | 117.6° | 120.0° |
| C15 | C14 | H14 | 115.8° | 118.9° |
| C14 | C15 | C16 | 115.9° | 118.8° |
| C15 | C16 | H161 | 119.2° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.5° |
| C15 | C16 | H163 | 108.7° | 109.5° |
| H161 | C16 | H162 | 108.7° | 109.5° |
| H161 | C16 | H163 | 108.7° | 109.5° |
| H162 | C16 | H163 | 101.4° | 109.4° |
| C24 | C23 | H231 | 114.1° | 109.4° |
| C24 | C23 | H232 | 114.1° | 109.5° |
| C23 | C24 | C25 | 125.4° | 109.5° |
| C23 | C24 | C31 | 112.5° | 109.5° |
| C23 | C24 | H24 | 94.5° | 109.5° |
| H231 | C23 | H232 | 96.4° | 109.5° |
| C25 | C24 | C31 | 114.9° | 109.5° |
| C25 | C24 | H24 | 90.1° | 109.4° |
| C24 | C25 | C30 | 131.8° | 120.0° |
| C24 | C25 | C26 | 116.0° | 120.0° |
| C31 | C24 | H24 | 113.9° | 109.4° |
| C24 | C31 | C36 | 118.1° | 120.0° |
| C24 | C31 | C32 | 120.5° | 120.0° |
| C29 | C28 | C27 | 113.6° | 119.9° |
| C29 | C28 | H28 | 117.0° | 120.0° |
| C28 | C29 | C30 | 118.9° | 120.0° |
| C28 | C29 | H29 | 113.5° | 120.0° |
| C27 | C28 | H28 | 129.4° | 120.0° |
| C28 | C27 | C26 | 126.9° | 120.0° |
| C28 | C27 | H27 | 116.3° | 120.0° |
| C30 | C29 | H29 | 127.5° | 120.0° |
| C29 | C30 | C25 | 128.6° | 120.0° |
| C29 | C30 | H30 | 116.2° | 120.0° |
| C25 | C30 | H30 | 115.2° | 120.0° |
| C30 | C25 | C26 | 111.9° | 120.0° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H26 | 113.5° | 120.0° |
| C27 | C26 | H26 | 126.6° | 120.0° |
| C26 | C27 | H27 | 116.7° | 120.0° |
| C35 | C34 | C33 | 124.9° | 120.0° |
| C35 | C34 | H34 | 121.0° | 120.0° |
| C34 | C35 | C36 | 117.9° | 120.0° |
| C34 | C35 | H35 | 125.6° | 120.0° |
| C33 | C34 | H34 | 114.1° | 120.0° |
| C34 | C33 | C32 | 116.0° | 120.0° |
| C34 | C33 | H33 | 122.6° | 120.0° |
| C36 | C35 | H35 | 116.5° | 120.0° |
| C35 | C36 | C31 | 119.7° | 120.0° |
| C35 | C36 | H36 | 117.4° | 120.0° |
| C31 | C36 | H36 | 122.9° | 120.0° |
| C36 | C31 | C32 | 120.4° | 120.0° |
| C31 | C32 | C33 | 121.0° | 120.0° |
| C31 | C32 | H32 | 123.1° | 120.0° |
| C33 | C32 | H32 | 115.9° | 120.0° |
| C32 | C33 | H33 | 121.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N9 | C12 | HN9 | 180.0° | 179.9° |
| N9 | C1 | C2 | H11 | 125.3° | 120.1° |
| N9 | C1 | C2 | H12 | 125.3° | 120.0° |
| N9 | C1 | H11 | H12 | 117.9° | 119.9° |
| N9 | C1 | C2 | C7 | 34.0° | 180.0° |
| N9 | C1 | C2 | C3 | 88.2° | 60.0° |
| N9 | C1 | C2 | H2 | 153.7° | 60.0° |
| C1 | N9 | C12 | C13 | 174.0° | 180.0° |
| C1 | N9 | C12 | O12 | 14.3° | 0.1° |
| C12 | N9 | C1 | C2 | 92.5° | 180.0° |
| C12 | N9 | C1 | H11 | 142.3° | 60.0° |
| C12 | N9 | C1 | H12 | 32.8° | 59.9° |
| N9 | C12 | C13 | N19 | 142.8° | 178.0° |
| N9 | C12 | C13 | C14 | 79.8° | 60.0° |
| N9 | C12 | C13 | O12 | 171.9° | 179.9° |
| N9 | C12 | C13 | H13 | 32.2° | 61.0° |
| HN9 | N9 | C1 | C2 | 87.5° | 0.0° |
| HN9 | N9 | C1 | H11 | 37.8° | 120.1° |
| HN9 | N9 | C1 | H12 | 147.2° | 120.0° |
| HN9 | N9 | C12 | C13 | 6.0° | 0.1° |
| HN9 | N9 | C12 | O12 | 165.7° | 180.0° |
| C2 | C1 | H11 | H12 | 117.8° | 120.0° |
| C1 | C2 | C7 | C3 | 119.1° | 120.0° |
| C1 | C2 | C7 | H2 | 122.8° | 120.0° |
| C1 | C2 | C3 | H2 | 122.8° | 120.0° |
| C1 | C2 | C7 | C6 | 168.5° | 180.0° |
| C1 | C2 | C7 | H71 | 43.3° | 59.9° |
| C1 | C2 | C7 | H72 | 66.2° | 60.0° |
| C1 | C2 | C3 | C4 | 164.1° | 180.0° |
| C1 | C2 | C3 | H31 | 38.9° | 60.0° |
| C1 | C2 | C3 | H32A | 70.6° | 60.0° |
| H11 | C1 | C2 | C7 | 159.3° | 59.9° |
| H11 | C1 | C2 | C3 | 37.1° | 179.9° |
| H11 | C1 | C2 | H2 | 81.0° | 60.1° |
| H12 | C1 | C2 | C7 | 91.3° | 60.0° |
| H12 | C1 | C2 | C3 | 146.5° | 60.0° |
| H12 | C1 | C2 | H2 | 28.4° | 180.0° |
| C8 | N10 | H101 | H102 | 125.2° | 179.9° |
| N10 | C8 | N11 | C5 | 174.7° | 180.0° |
| N10 | C8 | N11 | HN11 | 179.7° | 0.0° |
| N10 | C8 | C5 | C6 | 19.2° | 150.0° |
| N10 | C8 | C5 | C4 | 157.9° | 90.0° |
| N10 | C8 | C5 | H5 | 93.4° | 30.0° |
| H101 | N10 | C8 | N11 | 179.9° | 0.0° |
| H101 | N10 | C8 | C5 | 6.0° | 180.0° |
| H102 | N10 | C8 | N11 | 54.7° | 180.0° |
| H102 | N10 | C8 | C5 | 119.2° | 0.0° |
| N11 | C8 | C5 | C6 | 166.5° | 30.0° |
| N11 | C8 | C5 | C4 | 16.4° | 90.0° |
| N11 | C8 | C5 | H5 | 92.3° | 150.0° |
| HN11 | N11 | C8 | C5 | 5.0° | 180.0° |
| C8 | C5 | C6 | C7 | 166.6° | 180.0° |
| C8 | C5 | C6 | C4 | 177.1° | 120.0° |
| C8 | C5 | C6 | H5 | 60.2° | 120.0° |
| C8 | C5 | C6 | H61 | 68.1° | 60.0° |
| C8 | C5 | C6 | H62 | 41.4° | 60.0° |
| C8 | C5 | C4 | H5 | 74.9° | 120.0° |
| C8 | C5 | C4 | C3 | 166.1° | 180.0° |
| C8 | C5 | C4 | H41 | 40.8° | 60.0° |
| C8 | C5 | C4 | H42 | 68.6° | 60.0° |
| C7 | C2 | C3 | H2 | 119.7° | 120.0° |
| C2 | C7 | C6 | H71 | 125.2° | 120.1° |
| C2 | C7 | C6 | H72 | 125.2° | 120.0° |
| C2 | C7 | H71 | H72 | 120.2° | 119.9° |
| C2 | C7 | C6 | C5 | 52.1° | 60.0° |
| C2 | C7 | C6 | H61 | 73.1° | 60.0° |
| C2 | C7 | C6 | H62 | 177.3° | 180.0° |
| C7 | C2 | C3 | C4 | 46.6° | 60.0° |
| C7 | C2 | C3 | H31 | 78.6° | 60.0° |
| C7 | C2 | C3 | H32A | 171.9° | 180.0° |
| C3 | C2 | C7 | C6 | 72.4° | 60.0° |
| C3 | C2 | C7 | H71 | 162.3° | 179.9° |
| C3 | C2 | C7 | H72 | 52.9° | 60.0° |
| C2 | C3 | C4 | C5 | 4.9° | 60.1° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32A | 125.3° | 120.0° |
| C2 | C3 | C4 | H41 | 120.3° | 60.0° |
| C2 | C3 | C4 | H42 | 130.2° | 180.0° |
| C2 | C3 | H31 | H32A | 118.9° | 119.9° |
| H2 | C2 | C7 | C6 | 45.7° | 60.0° |
| H2 | C2 | C7 | H71 | 79.5° | 60.1° |
| H2 | C2 | C7 | H72 | 171.0° | 180.0° |
| H2 | C2 | C3 | C4 | 73.1° | 60.0° |
| H2 | C2 | C3 | H31 | 161.6° | NaN° |
| H2 | C2 | C3 | H32A | 52.2° | 60.0° |
| C6 | C7 | H71 | H72 | 120.3° | 120.0° |
| C7 | C6 | C5 | H61 | 125.2° | 120.0° |
| C7 | C6 | C5 | H62 | 125.3° | 120.0° |
| C7 | C6 | H61 | H62 | 116.8° | 120.0° |
| C7 | C6 | C5 | C4 | 16.2° | 60.0° |
| C7 | C6 | C5 | H5 | 106.5° | 60.0° |
| H71 | C7 | C6 | C5 | 177.3° | 179.9° |
| H71 | C7 | C6 | H61 | 52.1° | 60.1° |
| H71 | C7 | C6 | H62 | 57.4° | 60.0° |
| H72 | C7 | C6 | C5 | 73.2° | 60.0° |
| H72 | C7 | C6 | H61 | 161.6° | 180.0° |
| H72 | C7 | C6 | H62 | 52.1° | 60.0° |
| C5 | C6 | H61 | H62 | 116.8° | 120.0° |
| C6 | C5 | C4 | H5 | 107.9° | 120.0° |
| C6 | C5 | C4 | C3 | 11.1° | 60.0° |
| C6 | C5 | C4 | H41 | 136.3° | 60.0° |
| C6 | C5 | C4 | H42 | 114.2° | 180.0° |
| H61 | C6 | C5 | C4 | 109.0° | 60.0° |
| H61 | C6 | C5 | H5 | 128.3° | 180.0° |
| H62 | C6 | C5 | C4 | 141.5° | 180.0° |
| H62 | C6 | C5 | H5 | 18.8° | 60.0° |
| C5 | C4 | C3 | H41 | 125.3° | 120.0° |
| C5 | C4 | C3 | H42 | 125.3° | 120.0° |
| C5 | C4 | H41 | H42 | 111.9° | 120.0° |
| C5 | C4 | C3 | H31 | 120.4° | 60.0° |
| C5 | C4 | C3 | H32A | 130.2° | 180.0° |
| H5 | C5 | C4 | C3 | 119.0° | 60.0° |
| H5 | C5 | C4 | H41 | 115.7° | 179.9° |
| H5 | C5 | C4 | H42 | 6.2° | 60.0° |
| C3 | C4 | H41 | H42 | 111.8° | 120.0° |
| C4 | C3 | H31 | H32A | 118.9° | 120.1° |
| H41 | C4 | C3 | H31 | 114.4° | 180.0° |
| H41 | C4 | C3 | H32A | 4.9° | 60.0° |
| H42 | C4 | C3 | H31 | 4.9° | 60.0° |
| H42 | C4 | C3 | H32A | 104.5° | 60.0° |
| N18 | C17 | C15 | H171 | 125.3° | 119.6° |
| N18 | C17 | C15 | H172 | 125.2° | 119.2° |
| N18 | C17 | H171 | H172 | 116.9° | 121.0° |
| C17 | N18 | C20 | N19 | 170.2° | 179.7° |
| C17 | N18 | C20 | O20 | 10.8° | 0.3° |
| C17 | N18 | C20 | N21 | 170.9° | 179.8° |
| C17 | N18 | N19 | C22 | 168.8° | 179.8° |
| C17 | N18 | N19 | C13 | 22.6° | 0.4° |
| N18 | C17 | C15 | C14 | 7.0° | 33.6° |
| N18 | C17 | C15 | C16 | 159.5° | 146.8° |
| C15 | C17 | H171 | H172 | 116.8° | 120.9° |
| C15 | C17 | N18 | C20 | 163.2° | 147.3° |
| C15 | C17 | N18 | N19 | 5.8° | 33.1° |
| C17 | C15 | C14 | C13 | 27.3° | 0.3° |
| C17 | C15 | C14 | C16 | 153.4° | 179.7° |
| C17 | C15 | C14 | H14 | 152.7° | 179.7° |
| C17 | C15 | C16 | H161 | 180.0° | 179.7° |
| C17 | C15 | C16 | H162 | 54.7° | 60.3° |
| C17 | C15 | C16 | H163 | 54.8° | 59.6° |
| H171 | C17 | N18 | C20 | 71.6° | 92.8° |
| H171 | C17 | N18 | N19 | 119.4° | 86.9° |
| H171 | C17 | C15 | C14 | 118.2° | 86.1° |
| H171 | C17 | C15 | C16 | 34.2° | 93.6° |
| H172 | C17 | N18 | C20 | 38.0° | 28.2° |
| H172 | C17 | N18 | N19 | 131.0° | 152.1° |
| H172 | C17 | C15 | C14 | 132.3° | 152.8° |
| H172 | C17 | C15 | C16 | 75.2° | 27.5° |
| N18 | C20 | O20 | N21 | 178.1° | 180.0° |
| N18 | C20 | N21 | C22 | 2.4° | 0.0° |
| N18 | C20 | N21 | C23 | 175.5° | 180.0° |
| C20 | N18 | N19 | C22 | 1.5° | 0.1° |
| C20 | N18 | N19 | C13 | 147.7° | 179.9° |
| N19 | N18 | C20 | O20 | 178.9° | 180.0° |
| N19 | N18 | C20 | N21 | 0.7° | 0.1° |
| N18 | N19 | C22 | N21 | 2.9° | 0.1° |
| N18 | N19 | C22 | O22 | 179.7° | 180.0° |
| N18 | N19 | C22 | C13 | 143.4° | 179.8° |
| N18 | N19 | C13 | C14 | 38.6° | 32.5° |
| N18 | N19 | C13 | C12 | 101.3° | 87.0° |
| N18 | N19 | C13 | H13 | 153.3° | 151.9° |
| O20 | C20 | N21 | C22 | 179.0° | 180.0° |
| O20 | C20 | N21 | C23 | 3.1° | 0.0° |
| C20 | N21 | C22 | C23 | 177.7° | 179.9° |
| C20 | N21 | C22 | O22 | 179.0° | 180.0° |
| C20 | N21 | C22 | N19 | 3.5° | 0.0° |
| C20 | N21 | C23 | C24 | 104.6° | 90.0° |
| C20 | N21 | C23 | H231 | 130.2° | 150.1° |
| C20 | N21 | C23 | H232 | 20.7° | 30.1° |
| N21 | C22 | O22 | N19 | 177.0° | 180.0° |
| N21 | C22 | N19 | C13 | 146.3° | 179.9° |
| C22 | N21 | C23 | C24 | 72.9° | 90.1° |
| C22 | N21 | C23 | H231 | 52.4° | 29.9° |
| C22 | N21 | C23 | H232 | 161.8° | 149.9° |
| C23 | N21 | C22 | O22 | 3.3° | 0.0° |
| C23 | N21 | C22 | N19 | 174.2° | 179.9° |
| N21 | C23 | C24 | H231 | 125.2° | 119.9° |
| N21 | C23 | C24 | H232 | 125.3° | 120.1° |
| N21 | C23 | H231 | H232 | 120.0° | 120.0° |
| N21 | C23 | C24 | C25 | 28.3° | 180.0° |
| N21 | C23 | C24 | C31 | 176.8° | 60.0° |
| N21 | C23 | C24 | H24 | 65.0° | 60.0° |
| O22 | C22 | N19 | C13 | 36.3° | 0.1° |
| C22 | N19 | C13 | C14 | 178.3° | 147.3° |
| C22 | N19 | C13 | C12 | 38.4° | 93.1° |
| C22 | N19 | C13 | H13 | 67.0° | 27.9° |
| N19 | C13 | C14 | C12 | 140.4° | 119.5° |
| N19 | C13 | C14 | H13 | 113.7° | 119.5° |
| N19 | C13 | C12 | H13 | 110.5° | 121.0° |
| N19 | C13 | C14 | C15 | 41.7° | 33.1° |
| N19 | C13 | C14 | H14 | 138.3° | 146.9° |
| N19 | C13 | C12 | O12 | 29.1° | 1.8° |
| C14 | C13 | C12 | H13 | 112.0° | 120.9° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.3° | 179.9° |
| C14 | C13 | C12 | O12 | 108.3° | 119.9° |
| C12 | C13 | C14 | C15 | 98.7° | 86.4° |
| C12 | C13 | C14 | H14 | 81.3° | 93.5° |
| H13 | C13 | C14 | C15 | 155.4° | 152.6° |
| H13 | C13 | C14 | H14 | 24.6° | 27.4° |
| H13 | C13 | C12 | O12 | 139.7° | 119.2° |
| C14 | C15 | C16 | H161 | 26.6° | 0.0° |
| C14 | C15 | C16 | H162 | 98.7° | 120.0° |
| C14 | C15 | C16 | H163 | 151.8° | 120.0° |
| H14 | C14 | C15 | C16 | 0.7° | 0.0° |
| C15 | C16 | H161 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H163 | 125.2° | 120.1° |
| C15 | C16 | H162 | H163 | 114.4° | 120.0° |
| H161 | C16 | H162 | H163 | 114.4° | 120.0° |
| C24 | C23 | H231 | H232 | 120.0° | 120.0° |
| C23 | C24 | C25 | C31 | 147.8° | 120.0° |
| C23 | C24 | C25 | H24 | 95.6° | 120.0° |
| C23 | C24 | C31 | H24 | 106.0° | 120.0° |
| C23 | C24 | C25 | C30 | 117.7° | 50.2° |
| C23 | C24 | C25 | C26 | 69.5° | 130.2° |
| C23 | C24 | C31 | C36 | 81.8° | 123.0° |
| C23 | C24 | C31 | C32 | 109.7° | 57.2° |
| H231 | C23 | C24 | C25 | 153.5° | 60.0° |
| H231 | C23 | C24 | C31 | 58.0° | 180.0° |
| H231 | C23 | C24 | H24 | 60.2° | 60.0° |
| H232 | C23 | C24 | C25 | 97.0° | 60.0° |
| H232 | C23 | C24 | C31 | 51.5° | 60.0° |
| H232 | C23 | C24 | H24 | 169.7° | 180.0° |
| C25 | C24 | C31 | H24 | 102.0° | 119.9° |
| C24 | C25 | C30 | C29 | 173.0° | 180.0° |
| C24 | C25 | C30 | C26 | 173.0° | 179.7° |
| C24 | C25 | C30 | H30 | 7.0° | 0.1° |
| C24 | C25 | C26 | C27 | 175.6° | 179.8° |
| C24 | C25 | C26 | H26 | 4.5° | 0.2° |
| C25 | C24 | C31 | C36 | 70.2° | 116.9° |
| C25 | C24 | C31 | C32 | 98.3° | 62.8° |
| C31 | C24 | C25 | C30 | 94.4° | 69.9° |
| C31 | C24 | C25 | C26 | 78.3° | 109.8° |
| C24 | C31 | C36 | C35 | 165.1° | 180.0° |
| C24 | C31 | C36 | C32 | 168.5° | 179.7° |
| C24 | C31 | C36 | H36 | 15.0° | 0.0° |
| C24 | C31 | C32 | C33 | 164.0° | 179.7° |
| C24 | C31 | C32 | H32 | 16.0° | 0.2° |
| H24 | C24 | C25 | C30 | 22.2° | 170.2° |
| H24 | C24 | C25 | C26 | 165.1° | 10.1° |
| H24 | C24 | C31 | C36 | 172.2° | 3.0° |
| H24 | C24 | C31 | C32 | 3.7° | 177.3° |
| C29 | C28 | C27 | H28 | 180.0° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 0.4° | 0.1° |
| C28 | C29 | C30 | H30 | 179.6° | 180.0° |
| C29 | C28 | C27 | C26 | 3.7° | 0.1° |
| C29 | C28 | C27 | H27 | 176.3° | 180.0° |
| C27 | C28 | C29 | C30 | 2.0° | 0.0° |
| C27 | C28 | C29 | H29 | 178.0° | 180.0° |
| C28 | C27 | C26 | C25 | 3.5° | 0.4° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | H26 | 176.6° | 180.0° |
| H28 | C28 | C29 | C30 | 178.0° | 180.0° |
| H28 | C28 | C29 | H29 | 2.0° | 0.0° |
| H28 | C28 | C27 | C26 | 176.4° | 179.9° |
| H28 | C28 | C27 | H27 | 3.7° | 0.0° |
| C29 | C30 | C25 | H30 | 180.0° | 179.9° |
| C29 | C30 | C25 | C26 | 0.0° | 0.3° |
| H29 | C29 | C30 | C25 | 179.5° | 179.9° |
| H29 | C29 | C30 | H30 | 0.5° | 0.0° |
| C30 | C25 | C26 | C27 | 1.4° | 0.5° |
| C30 | C25 | C26 | H26 | 178.7° | 179.9° |
| H30 | C30 | C25 | C26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H26 | 179.9° | 179.6° |
| C25 | C26 | C27 | H27 | 176.5° | 179.7° |
| H26 | C26 | C27 | H27 | 3.4° | 0.1° |
| C35 | C34 | C33 | H34 | 180.0° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C31 | 0.7° | 0.1° |
| C34 | C35 | C36 | H36 | 179.2° | 180.0° |
| C35 | C34 | C33 | C32 | 0.7° | 0.2° |
| C35 | C34 | C33 | H33 | 179.3° | 180.0° |
| C33 | C34 | C35 | C36 | 1.5° | 0.0° |
| C33 | C34 | C35 | H35 | 178.5° | 180.0° |
| C34 | C33 | C32 | C31 | 2.1° | 0.5° |
| C34 | C33 | C32 | H33 | 180.0° | 179.8° |
| C34 | C33 | C32 | H32 | 177.9° | 180.0° |
| H34 | C34 | C35 | C36 | 178.6° | 179.9° |
| H34 | C34 | C35 | H35 | 1.5° | 0.1° |
| H34 | C34 | C33 | C32 | 179.3° | 179.8° |
| H34 | C34 | C33 | H33 | 0.7° | 0.0° |
| C35 | C36 | C31 | H36 | 179.9° | 180.0° |
| C35 | C36 | C31 | C32 | 3.4° | 0.3° |
| H35 | C35 | C36 | C31 | 179.3° | 180.0° |
| H35 | C35 | C36 | H36 | 0.7° | 0.0° |
| C36 | C31 | C32 | C33 | 4.2° | 0.5° |
| C36 | C31 | C32 | H32 | 175.7° | 179.9° |
| H36 | C36 | C31 | C32 | 176.5° | 179.7° |
| C31 | C32 | C33 | H32 | 180.0° | 179.5° |
| C31 | C32 | C33 | H33 | 177.9° | 179.7° |
| H32 | C32 | C33 | H33 | 2.1° | 0.2° |
