IH3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | NC | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.34Å | 1.37Å | Aromatic |
| C1 | C5 | sing | 1.51Å | 1.45Å | |
| NC | C3 | sing | 1.36Å | 1.35Å | Aromatic |
| NC | HNC | sing | 0.97Å | 1.02Å | |
| C3 | NA | doub | 1.31Å | 1.34Å | Aromatic |
| C3 | NB | sing | 1.38Å | 1.32Å | |
| NA | C2 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| NB | HNB1 | sing | 0.97Å | 1.02Å | |
| NB | HNB2 | sing | 0.97Å | 1.02Å | |
| N10 | C8 | sing | 1.47Å | 1.24Å | |
| N10 | C11 | sing | 1.35Å | 1.34Å | |
| N10 | HN10 | sing | 0.97Å | 1.02Å | |
| C7 | C8 | sing | 1.53Å | 1.60Å | |
| C7 | C6 | sing | 1.53Å | 1.63Å | |
| C7 | HC71 | sing | 1.09Å | 1.11Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | HC8 | sing | 1.09Å | 1.11Å | |
| C9 | C4 | sing | 1.53Å | 1.57Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.59Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | HC5 | sing | 1.09Å | 1.12Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| N20 | C19 | sing | 1.35Å | 1.39Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.38Å | Aromatic |
| N20 | C22 | sing | 1.47Å | 1.72Å | |
| C19 | O19 | doub | 1.22Å | 1.26Å | |
| C19 | N17 | sing | 1.33Å | 1.40Å | Aromatic |
| N17 | N18 | sing | 1.42Å | 1.43Å | Aromatic |
| N17 | C16 | sing | 1.47Å | 1.40Å | |
| N18 | C21 | sing | 1.33Å | 1.39Å | Aromatic |
| N18 | C12 | sing | 1.47Å | 1.40Å | |
| C21 | O21 | doub | 1.22Å | 1.25Å | |
| C16 | C14 | sing | 1.51Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C14 | C13 | doub | 1.31Å | 1.37Å | |
| C14 | C15 | sing | 1.51Å | 1.56Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C13 | HC13 | sing | 1.08Å | 1.10Å | |
| C12 | C11 | sing | 1.51Å | 1.46Å | |
| C12 | HC12 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C11 | O11 | doub | 1.21Å | 1.23Å | |
| C23 | C22 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | C30 | sing | 1.51Å | 1.54Å | |
| C23 | HC23 | sing | 1.09Å | 1.12Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | doub | 1.38Å | 1.43Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.52Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.47Å | Aromatic |
| C25 | HC25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.49Å | Aromatic |
| C26 | HC26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.38Å | 1.46Å | Aromatic |
| C27 | HC27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.38Å | 1.49Å | Aromatic |
| C28 | HC28 | sing | 1.08Å | 1.10Å | |
| C29 | HC29 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | doub | 1.38Å | 1.46Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.55Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.60Å | Aromatic |
| C31 | HC31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.45Å | Aromatic |
| C32 | HC32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.38Å | 1.44Å | Aromatic |
| C33 | HC33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.51Å | Aromatic |
| C34 | HC34 | sing | 1.08Å | 1.10Å | |
| C35 | HC35 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NC | C1 | C2 | 105.7° | 106.9° |
| NC | C1 | C5 | 125.7° | 126.5° |
| C1 | NC | C3 | 108.9° | 107.1° |
| C1 | NC | HNC | 127.0° | 126.5° |
| C2 | C1 | C5 | 128.7° | 126.6° |
| C1 | C2 | NA | 107.9° | 108.3° |
| C1 | C2 | HC2 | 126.7° | 125.8° |
| C1 | C5 | C4 | 108.8° | 109.5° |
| C1 | C5 | C6 | 110.1° | 109.4° |
| C1 | C5 | HC5 | 109.5° | 109.4° |
| C3 | NC | HNC | 124.2° | 126.4° |
| NC | C3 | NA | 107.6° | 108.4° |
| NC | C3 | NB | 126.5° | 125.9° |
| NA | C3 | NB | 125.9° | 125.8° |
| C3 | NA | C2 | 110.0° | 109.3° |
| C3 | NB | HNB1 | 126.6° | 120.0° |
| C3 | NB | HNB2 | 106.3° | 120.0° |
| NA | C2 | HC2 | 125.4° | 125.9° |
| HNB1 | NB | HNB2 | 106.2° | 120.0° |
| C8 | N10 | C11 | 113.4° | 120.0° |
| C8 | N10 | HN10 | 119.9° | 120.0° |
| N10 | C8 | C7 | 105.9° | 109.4° |
| N10 | C8 | C9 | 100.5° | 109.5° |
| N10 | C8 | HC8 | 116.9° | 109.4° |
| C11 | N10 | HN10 | 126.7° | 120.0° |
| N10 | C11 | C12 | 117.2° | 120.0° |
| N10 | C11 | O11 | 123.0° | 120.0° |
| C8 | C7 | C6 | 112.9° | 109.5° |
| C8 | C7 | HC71 | 111.0° | 109.5° |
| C8 | C7 | HC72 | 111.0° | 109.5° |
| C7 | C8 | C9 | 108.7° | 109.5° |
| C7 | C8 | HC8 | 109.7° | 109.5° |
| C6 | C7 | HC71 | 110.9° | 109.5° |
| C6 | C7 | HC72 | 111.0° | 109.5° |
| C7 | C6 | C5 | 117.1° | 109.4° |
| C7 | C6 | HC61 | 109.5° | 109.4° |
| C7 | C6 | HC62 | 109.5° | 109.5° |
| HC71 | C7 | HC72 | 99.4° | 109.4° |
| C9 | C8 | HC8 | 114.4° | 109.5° |
| C8 | C9 | C4 | 118.3° | 109.5° |
| C8 | C9 | HC91 | 109.0° | 109.5° |
| C8 | C9 | HC92 | 109.0° | 109.5° |
| C4 | C9 | HC91 | 109.0° | 109.4° |
| C4 | C9 | HC92 | 109.0° | 109.5° |
| C9 | C4 | C5 | 112.7° | 109.5° |
| C9 | C4 | HC41 | 111.0° | 109.5° |
| C9 | C4 | HC42 | 111.1° | 109.5° |
| HC91 | C9 | HC92 | 101.1° | 109.5° |
| C5 | C4 | HC41 | 111.0° | 109.5° |
| C5 | C4 | HC42 | 111.0° | 109.4° |
| C4 | C5 | C6 | 109.7° | 109.5° |
| C4 | C5 | HC5 | 110.0° | 109.5° |
| HC41 | C4 | HC42 | 99.3° | 109.4° |
| C6 | C5 | HC5 | 108.7° | 109.5° |
| C5 | C6 | HC61 | 109.4° | 109.5° |
| C5 | C6 | HC62 | 109.4° | 109.5° |
| HC61 | C6 | HC62 | 100.7° | 109.5° |
| C19 | N20 | C21 | 111.5° | 109.3° |
| C19 | N20 | C22 | 123.9° | 125.3° |
| N20 | C19 | O19 | 124.7° | 125.9° |
| N20 | C19 | N17 | 105.7° | 108.2° |
| C21 | N20 | C22 | 124.2° | 125.4° |
| N20 | C21 | N18 | 106.8° | 108.2° |
| N20 | C21 | O21 | 126.5° | 125.9° |
| N20 | C22 | C23 | 106.9° | 109.5° |
| N20 | C22 | H221 | 113.2° | 109.4° |
| N20 | C22 | H222 | 113.2° | 109.4° |
| O19 | C19 | N17 | 129.5° | 125.9° |
| C19 | N17 | N18 | 108.0° | 107.2° |
| C19 | N17 | C16 | 128.4° | 132.0° |
| N18 | N17 | C16 | 123.4° | 120.8° |
| N17 | N18 | C21 | 107.8° | 107.2° |
| N17 | N18 | C12 | 123.8° | 120.9° |
| N17 | C16 | C14 | 111.4° | 107.4° |
| N17 | C16 | H161 | 111.5° | 109.8° |
| N17 | C16 | H162 | 111.5° | 109.8° |
| C21 | N18 | C12 | 123.6° | 131.9° |
| N18 | C21 | O21 | 126.5° | 126.0° |
| N18 | C12 | C13 | 109.3° | 107.5° |
| N18 | C12 | C11 | 116.1° | 109.9° |
| N18 | C12 | HC12 | 105.2° | 109.8° |
| C14 | C16 | H161 | 111.5° | 110.3° |
| C14 | C16 | H162 | 111.5° | 109.6° |
| C16 | C14 | C13 | 123.9° | 122.4° |
| C16 | C14 | C15 | 119.1° | 118.8° |
| H161 | C16 | H162 | 98.9° | 109.9° |
| C13 | C14 | C15 | 117.0° | 118.8° |
| C14 | C13 | C12 | 119.4° | 122.3° |
| C14 | C13 | HC13 | 114.5° | 118.9° |
| C14 | C15 | H151 | 119.1° | 109.5° |
| C14 | C15 | H152 | 108.7° | 109.5° |
| C14 | C15 | H153 | 108.7° | 109.5° |
| C12 | C13 | HC13 | 126.0° | 118.9° |
| C13 | C12 | C11 | 110.3° | 109.9° |
| C13 | C12 | HC12 | 111.6° | 109.8° |
| C11 | C12 | HC12 | 104.1° | 109.8° |
| C12 | C11 | O11 | 119.5° | 120.0° |
| H151 | C15 | H152 | 108.8° | 109.5° |
| H151 | C15 | H153 | 108.8° | 109.4° |
| H152 | C15 | H153 | 101.3° | 109.5° |
| C22 | C23 | C24 | 111.2° | 109.4° |
| C22 | C23 | C30 | 109.1° | 109.6° |
| C22 | C23 | HC23 | 110.6° | 109.4° |
| C23 | C22 | H221 | 113.1° | 109.5° |
| C23 | C22 | H222 | 113.1° | 109.4° |
| C24 | C23 | C30 | 114.8° | 109.5° |
| C24 | C23 | HC23 | 104.3° | 109.4° |
| C23 | C24 | C25 | 116.9° | 120.0° |
| C23 | C24 | C29 | 124.9° | 120.0° |
| C30 | C23 | HC23 | 106.6° | 109.5° |
| C23 | C30 | C31 | 118.1° | 120.0° |
| C23 | C30 | C35 | 126.9° | 120.0° |
| H221 | C22 | H222 | 97.3° | 109.5° |
| C25 | C24 | C29 | 118.1° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C24 | C25 | HC25 | 119.0° | 120.0° |
| C24 | C29 | C28 | 122.1° | 120.0° |
| C24 | C29 | HC29 | 120.0° | 120.0° |
| C26 | C25 | HC25 | 121.3° | 120.0° |
| C25 | C26 | C27 | 123.2° | 120.0° |
| C25 | C26 | HC26 | 117.6° | 120.0° |
| C27 | C26 | HC26 | 119.2° | 120.0° |
| C26 | C27 | C28 | 118.2° | 120.0° |
| C26 | C27 | HC27 | 121.7° | 120.0° |
| C28 | C27 | HC27 | 120.1° | 120.0° |
| C27 | C28 | C29 | 118.6° | 120.0° |
| C27 | C28 | HC28 | 119.9° | 120.0° |
| C29 | C28 | HC28 | 121.5° | 120.0° |
| C28 | C29 | HC29 | 117.9° | 120.0° |
| C31 | C30 | C35 | 114.9° | 120.0° |
| C30 | C31 | C32 | 118.8° | 120.0° |
| C30 | C31 | HC31 | 116.0° | 120.0° |
| C30 | C35 | C34 | 123.8° | 120.0° |
| C30 | C35 | HC35 | 119.4° | 120.0° |
| C32 | C31 | HC31 | 125.2° | 120.0° |
| C31 | C32 | C33 | 124.3° | 120.0° |
| C31 | C32 | HC32 | 123.0° | 120.0° |
| C33 | C32 | HC32 | 112.7° | 120.0° |
| C32 | C33 | C34 | 116.9° | 120.0° |
| C32 | C33 | HC33 | 122.1° | 120.0° |
| C34 | C33 | HC33 | 121.0° | 120.0° |
| C33 | C34 | C35 | 121.2° | 120.0° |
| C33 | C34 | HC34 | 116.7° | 120.0° |
| C35 | C34 | HC34 | 122.1° | 120.0° |
| C34 | C35 | HC35 | 116.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NC | C1 | C2 | C5 | 179.6° | 179.7° |
| C1 | NC | C3 | HNC | 180.0° | 180.0° |
| C1 | NC | C3 | NA | 0.1° | 0.0° |
| C1 | NC | C3 | NB | 179.9° | 180.0° |
| NC | C1 | C2 | NA | 0.1° | 0.4° |
| NC | C1 | C2 | HC2 | 179.9° | 180.0° |
| NC | C1 | C5 | C4 | 145.1° | 90.0° |
| NC | C1 | C5 | C6 | 94.7° | 150.0° |
| NC | C1 | C5 | HC5 | 24.8° | 30.1° |
| C2 | C1 | NC | C3 | 0.1° | 0.3° |
| C2 | C1 | NC | HNC | 179.9° | 179.7° |
| C1 | C2 | NA | C3 | 0.1° | 0.4° |
| C1 | C2 | NA | HC2 | 180.0° | 179.6° |
| C2 | C1 | C5 | C4 | 34.4° | 89.6° |
| C2 | C1 | C5 | C6 | 85.8° | 30.3° |
| C2 | C1 | C5 | HC5 | 154.7° | 150.3° |
| C5 | C1 | NC | C3 | 179.7° | 180.0° |
| C5 | C1 | NC | HNC | 0.3° | 0.1° |
| C5 | C1 | C2 | NA | 179.7° | 179.9° |
| C5 | C1 | C2 | HC2 | 0.3° | 0.3° |
| C1 | C5 | C6 | C7 | 151.8° | 180.0° |
| C1 | C5 | C4 | C9 | 178.5° | 180.0° |
| C1 | C5 | C4 | C6 | 120.5° | 119.9° |
| C1 | C5 | C4 | HC5 | 120.0° | 120.0° |
| C1 | C5 | C4 | HC41 | 53.2° | 59.9° |
| C1 | C5 | C4 | HC42 | 56.3° | 60.1° |
| C1 | C5 | C6 | HC5 | 120.0° | 119.9° |
| C1 | C5 | C6 | HC61 | 83.0° | 60.1° |
| C1 | C5 | C6 | HC62 | 26.4° | 60.0° |
| NC | C3 | NA | NB | 179.8° | 180.0° |
| NC | C3 | NA | C2 | 0.0° | 0.2° |
| NC | C3 | NB | HNB1 | 180.0° | 180.0° |
| NC | C3 | NB | HNB2 | 54.7° | 0.0° |
| HNC | NC | C3 | NA | 179.9° | 180.0° |
| HNC | NC | C3 | NB | 0.1° | 0.0° |
| C3 | NA | C2 | HC2 | 179.9° | 180.0° |
| NA | C3 | NB | HNB1 | 0.2° | 0.0° |
| NA | C3 | NB | HNB2 | 125.5° | 179.9° |
| NB | C3 | NA | C2 | 179.8° | 179.7° |
| C3 | NB | HNB1 | HNB2 | 125.3° | 179.9° |
| C8 | N10 | C11 | HN10 | 180.0° | 180.0° |
| N10 | C8 | C7 | C9 | 107.2° | 120.0° |
| N10 | C8 | C7 | HC8 | 127.0° | 120.0° |
| N10 | C8 | C7 | C6 | 53.7° | 180.0° |
| N10 | C8 | C7 | HC71 | 71.5° | 60.0° |
| N10 | C8 | C7 | HC72 | 179.0° | 60.0° |
| N10 | C8 | C9 | HC8 | 126.1° | 119.9° |
| N10 | C8 | C9 | C4 | 82.4° | 180.0° |
| N10 | C8 | C9 | HC91 | 152.4° | 60.0° |
| N10 | C8 | C9 | HC92 | 42.8° | 60.0° |
| C8 | N10 | C11 | C12 | 172.9° | 179.9° |
| C8 | N10 | C11 | O11 | 1.7° | 0.1° |
| C11 | N10 | C8 | C7 | 122.0° | 150.0° |
| C11 | N10 | C8 | C9 | 124.9° | 90.0° |
| C11 | N10 | C8 | HC8 | 0.5° | 30.0° |
| N10 | C11 | C12 | N18 | 110.8° | 178.1° |
| N10 | C11 | C12 | C13 | 124.2° | 59.9° |
| N10 | C11 | C12 | O11 | 174.9° | 179.9° |
| N10 | C11 | C12 | HC12 | 4.3° | 61.0° |
| HN10 | N10 | C8 | C7 | 58.0° | 30.0° |
| HN10 | N10 | C8 | C9 | 55.1° | 90.0° |
| HN10 | N10 | C8 | HC8 | 179.5° | 150.0° |
| HN10 | N10 | C11 | C12 | 7.1° | 0.1° |
| HN10 | N10 | C11 | O11 | 178.3° | 179.9° |
| C8 | C7 | C6 | HC71 | 125.3° | 120.0° |
| C8 | C7 | C6 | HC72 | 125.3° | 120.0° |
| C8 | C7 | HC71 | HC72 | 116.9° | 120.0° |
| C7 | C8 | C9 | HC8 | 123.0° | 120.1° |
| C7 | C8 | C9 | C4 | 28.5° | 60.0° |
| C7 | C8 | C9 | HC91 | 96.8° | 59.9° |
| C7 | C8 | C9 | HC92 | 153.7° | 180.0° |
| C8 | C7 | C6 | C5 | 23.1° | 60.0° |
| C8 | C7 | C6 | HC61 | 102.1° | 60.0° |
| C8 | C7 | C6 | HC62 | 148.4° | 180.0° |
| C6 | C7 | HC71 | HC72 | 116.8° | 120.0° |
| C6 | C7 | C8 | C9 | 53.5° | 60.0° |
| C6 | C7 | C8 | HC8 | 179.3° | 60.0° |
| C7 | C6 | C5 | C4 | 32.1° | 60.0° |
| C7 | C6 | C5 | HC61 | 125.3° | 119.9° |
| C7 | C6 | C5 | HC62 | 125.3° | 120.0° |
| C7 | C6 | C5 | HC5 | 88.2° | 60.1° |
| C7 | C6 | HC61 | HC62 | 115.3° | 120.0° |
| HC71 | C7 | C8 | C9 | 178.7° | 180.0° |
| HC71 | C7 | C8 | HC8 | 55.5° | 60.0° |
| HC71 | C7 | C6 | C5 | 148.4° | 180.0° |
| HC71 | C7 | C6 | HC61 | 23.2° | 60.0° |
| HC71 | C7 | C6 | HC62 | 86.3° | 60.0° |
| HC72 | C7 | C8 | C9 | 71.8° | 60.0° |
| HC72 | C7 | C8 | HC8 | 54.0° | 180.0° |
| HC72 | C7 | C6 | C5 | 102.1° | 60.0° |
| HC72 | C7 | C6 | HC61 | 132.6° | 180.0° |
| HC72 | C7 | C6 | HC62 | 23.1° | 60.0° |
| C8 | C9 | C4 | HC91 | 125.2° | 120.0° |
| C8 | C9 | C4 | HC92 | 125.3° | 120.0° |
| C8 | C9 | HC91 | HC92 | 114.8° | 120.1° |
| C8 | C9 | C4 | C5 | 26.5° | 60.1° |
| C8 | C9 | C4 | HC41 | 98.7° | 60.0° |
| C8 | C9 | C4 | HC42 | 151.8° | 180.0° |
| HC8 | C8 | C9 | C4 | 151.5° | 60.1° |
| HC8 | C8 | C9 | HC91 | 26.2° | 180.0° |
| HC8 | C8 | C9 | HC92 | 83.3° | 59.9° |
| C4 | C9 | HC91 | HC92 | 114.7° | 120.0° |
| C9 | C4 | C5 | HC41 | 125.3° | 120.0° |
| C9 | C4 | C5 | HC42 | 125.3° | 120.0° |
| C9 | C4 | HC41 | HC42 | 116.9° | 120.0° |
| C9 | C4 | C5 | C6 | 58.0° | 60.1° |
| C9 | C4 | C5 | HC5 | 61.6° | 60.0° |
| HC91 | C9 | C4 | C5 | 151.8° | 60.0° |
| HC91 | C9 | C4 | HC41 | 26.5° | 179.9° |
| HC91 | C9 | C4 | HC42 | 83.0° | 60.0° |
| HC92 | C9 | C4 | C5 | 98.7° | 179.9° |
| HC92 | C9 | C4 | HC41 | 136.0° | 60.0° |
| HC92 | C9 | C4 | HC42 | 26.5° | 60.0° |
| C5 | C4 | HC41 | HC42 | 116.8° | 120.0° |
| C4 | C5 | C6 | HC5 | 120.3° | 120.1° |
| C4 | C5 | C6 | HC61 | 157.4° | 59.9° |
| C4 | C5 | C6 | HC62 | 93.2° | 180.0° |
| HC41 | C4 | C5 | C6 | 67.3° | 60.0° |
| HC41 | C4 | C5 | HC5 | 173.2° | 179.9° |
| HC42 | C4 | C5 | C6 | 176.7° | 180.0° |
| HC42 | C4 | C5 | HC5 | 63.7° | 59.9° |
| C5 | C6 | HC61 | HC62 | 115.1° | 120.1° |
| HC5 | C5 | C6 | HC61 | 37.0° | 180.0° |
| HC5 | C5 | C6 | HC62 | 146.4° | 59.9° |
| C19 | N20 | C21 | C22 | 173.2° | 180.0° |
| N20 | C19 | O19 | N17 | 174.5° | 179.9° |
| N20 | C19 | N17 | N18 | 3.5° | 0.0° |
| N20 | C19 | N17 | C16 | 178.2° | 179.8° |
| C19 | N20 | C21 | N18 | 5.4° | 0.0° |
| C19 | N20 | C21 | O21 | 179.8° | 180.0° |
| C19 | N20 | C22 | C23 | 120.6° | 89.9° |
| C19 | N20 | C22 | H221 | 114.2° | 150.0° |
| C19 | N20 | C22 | H222 | 4.6° | 30.0° |
| C21 | N20 | C19 | O19 | 178.9° | 180.0° |
| C21 | N20 | C19 | N17 | 5.6° | 0.0° |
| N20 | C21 | N18 | N17 | 3.0° | 0.0° |
| N20 | C21 | N18 | O21 | 174.8° | 180.0° |
| N20 | C21 | N18 | C12 | 159.1° | 180.0° |
| C21 | N20 | C22 | C23 | 67.0° | 90.1° |
| C21 | N20 | C22 | H221 | 58.2° | 30.0° |
| C21 | N20 | C22 | H222 | 167.8° | 150.0° |
| C22 | N20 | C19 | O19 | 5.6° | 0.1° |
| C22 | N20 | C19 | N17 | 178.8° | 180.0° |
| C22 | N20 | C21 | N18 | 178.6° | 180.0° |
| C22 | N20 | C21 | O21 | 6.6° | 0.0° |
| N20 | C22 | C23 | H221 | 125.3° | 120.0° |
| N20 | C22 | C23 | H222 | 125.3° | 119.9° |
| N20 | C22 | C23 | C24 | 52.5° | 180.0° |
| N20 | C22 | C23 | C30 | 179.8° | 60.0° |
| N20 | C22 | C23 | HC23 | 62.9° | 60.1° |
| N20 | C22 | H221 | H222 | 119.1° | 120.0° |
| O19 | C19 | N17 | N18 | 178.8° | 180.0° |
| O19 | C19 | N17 | C16 | 6.5° | 0.3° |
| C19 | N17 | N18 | C16 | 175.1° | 179.8° |
| C19 | N17 | N18 | C21 | 0.4° | 0.0° |
| C19 | N17 | N18 | C12 | 155.7° | 180.0° |
| C19 | N17 | C16 | C14 | 173.6° | 147.3° |
| C19 | N17 | C16 | H161 | 61.1° | 92.7° |
| C19 | N17 | C16 | H162 | 48.4° | 28.2° |
| N17 | N18 | C21 | C12 | 156.1° | 180.0° |
| N17 | N18 | C21 | O21 | 177.8° | 180.0° |
| N18 | N17 | C16 | C14 | 0.4° | 33.0° |
| N18 | N17 | C16 | H161 | 124.8° | 87.0° |
| N18 | N17 | C16 | H162 | 125.6° | 152.1° |
| N17 | N18 | C12 | C13 | 33.0° | 32.6° |
| N17 | N18 | C12 | C11 | 92.5° | 87.0° |
| N17 | N18 | C12 | HC12 | 153.0° | 152.1° |
| C16 | N17 | N18 | C21 | 175.4° | 179.8° |
| C16 | N17 | N18 | C12 | 19.4° | 0.2° |
| N17 | C16 | C14 | H161 | 125.2° | 119.6° |
| N17 | C16 | C14 | H162 | 125.3° | 119.3° |
| N17 | C16 | H161 | H162 | 117.4° | 120.9° |
| N17 | C16 | C14 | C13 | 0.7° | 33.6° |
| N17 | C16 | C14 | C15 | 179.4° | 146.7° |
| C21 | N18 | C12 | C13 | 174.6° | 147.4° |
| C21 | N18 | C12 | C11 | 59.9° | 93.0° |
| C21 | N18 | C12 | HC12 | 54.6° | 27.9° |
| C12 | N18 | C21 | O21 | 26.1° | 0.0° |
| N18 | C12 | C13 | C14 | 31.6° | 33.2° |
| N18 | C12 | C13 | C11 | 128.8° | 119.6° |
| N18 | C12 | C13 | HC12 | 116.0° | 119.5° |
| N18 | C12 | C13 | HC13 | 148.4° | 146.8° |
| N18 | C12 | C11 | HC12 | 115.1° | 120.9° |
| N18 | C12 | C11 | O11 | 64.1° | 1.8° |
| C14 | C16 | H161 | H162 | 117.4° | 121.0° |
| C16 | C14 | C13 | C15 | 179.9° | 179.7° |
| C16 | C14 | C13 | C12 | 17.3° | 0.3° |
| C16 | C14 | C13 | HC13 | 162.7° | 179.8° |
| C16 | C14 | C15 | H151 | 180.0° | 179.7° |
| C16 | C14 | C15 | H152 | 54.7° | 60.3° |
| C16 | C14 | C15 | H153 | 54.8° | 59.7° |
| H161 | C16 | C14 | C13 | 124.6° | 86.1° |
| H161 | C16 | C14 | C15 | 55.3° | 93.7° |
| H162 | C16 | C14 | C13 | 125.9° | 152.8° |
| H162 | C16 | C14 | C15 | 54.2° | 27.4° |
| C14 | C13 | C12 | HC13 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 97.1° | 86.4° |
| C14 | C13 | C12 | HC12 | 147.6° | 152.6° |
| C13 | C14 | C15 | H151 | 0.1° | 0.0° |
| C13 | C14 | C15 | H152 | 125.1° | 120.0° |
| C13 | C14 | C15 | H153 | 125.4° | 120.0° |
| C15 | C14 | C13 | C12 | 162.8° | 180.0° |
| C15 | C14 | C13 | HC13 | 17.2° | 0.1° |
| C14 | C15 | H151 | H152 | 125.2° | 120.0° |
| C14 | C15 | H151 | H153 | 125.3° | 120.0° |
| C14 | C15 | H152 | H153 | 114.4° | 120.0° |
| C13 | C12 | C11 | HC12 | 119.9° | 120.9° |
| C13 | C12 | C11 | O11 | 60.9° | 120.0° |
| HC13 | C13 | C12 | C11 | 82.9° | 93.6° |
| HC13 | C13 | C12 | HC12 | 32.4° | 27.3° |
| HC12 | C12 | C11 | O11 | 179.2° | 119.1° |
| H151 | C15 | H152 | H153 | 114.5° | 120.0° |
| C22 | C23 | C24 | C30 | 124.5° | 120.1° |
| C22 | C23 | C24 | HC23 | 119.2° | 119.9° |
| C22 | C23 | C30 | HC23 | 119.5° | 120.0° |
| C23 | C22 | H221 | H222 | 119.0° | 120.0° |
| C22 | C23 | C24 | C25 | 124.8° | 50.2° |
| C22 | C23 | C24 | C29 | 53.0° | 130.1° |
| C22 | C23 | C30 | C31 | 115.3° | 123.0° |
| C22 | C23 | C30 | C35 | 66.5° | 57.2° |
| C24 | C23 | C30 | HC23 | 114.9° | 120.0° |
| C24 | C23 | C22 | H221 | 177.8° | 60.0° |
| C24 | C23 | C22 | H222 | 72.8° | 60.1° |
| C23 | C24 | C25 | C29 | 177.9° | 179.7° |
| C23 | C24 | C25 | C26 | 178.4° | 180.0° |
| C23 | C24 | C25 | HC25 | 1.6° | 0.0° |
| C23 | C24 | C29 | C28 | 178.1° | 179.8° |
| C23 | C24 | C29 | HC29 | 2.0° | 0.2° |
| C24 | C23 | C30 | C31 | 119.1° | 116.9° |
| C24 | C23 | C30 | C35 | 59.1° | 62.8° |
| C30 | C23 | C22 | H221 | 54.5° | 180.0° |
| C30 | C23 | C22 | H222 | 54.9° | 59.9° |
| C30 | C23 | C24 | C25 | 110.7° | 69.9° |
| C30 | C23 | C24 | C29 | 71.5° | 109.8° |
| C23 | C30 | C31 | C35 | 178.4° | 179.8° |
| C23 | C30 | C31 | C32 | 178.1° | 180.0° |
| C23 | C30 | C31 | HC31 | 1.8° | 0.1° |
| C23 | C30 | C35 | C34 | 178.2° | 179.7° |
| C23 | C30 | C35 | HC35 | 1.7° | 0.2° |
| HC23 | C23 | C22 | H221 | 62.4° | 59.9° |
| HC23 | C23 | C22 | H222 | 171.9° | 180.0° |
| HC23 | C23 | C24 | C25 | 5.6° | 170.1° |
| HC23 | C23 | C24 | C29 | 172.2° | 10.2° |
| HC23 | C23 | C30 | C31 | 4.2° | 3.0° |
| HC23 | C23 | C30 | C35 | 174.0° | 177.2° |
| C24 | C25 | C26 | HC25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C24 | C25 | C26 | HC26 | 179.7° | 180.0° |
| C25 | C24 | C29 | C28 | 0.3° | 0.5° |
| C25 | C24 | C29 | HC29 | 179.7° | 179.9° |
| C29 | C24 | C25 | C26 | 0.4° | 0.3° |
| C29 | C24 | C25 | HC25 | 179.5° | 179.7° |
| C24 | C29 | C28 | C27 | 0.0° | 0.4° |
| C24 | C29 | C28 | HC29 | 180.0° | 179.6° |
| C24 | C29 | C28 | HC28 | 180.0° | 179.7° |
| C25 | C26 | C27 | HC26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | HC27 | 180.0° | 180.0° |
| HC25 | C25 | C26 | C27 | 179.7° | 180.0° |
| HC25 | C25 | C26 | HC26 | 0.3° | 0.0° |
| C26 | C27 | C28 | HC27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.2° |
| C26 | C27 | C28 | HC28 | 179.8° | 180.0° |
| HC26 | C26 | C27 | C28 | 180.0° | 180.0° |
| HC26 | C26 | C27 | HC27 | 0.0° | 0.0° |
| C27 | C28 | C29 | HC28 | 180.0° | 179.8° |
| C27 | C28 | C29 | HC29 | 180.0° | 180.0° |
| HC27 | C27 | C28 | C29 | 179.8° | 179.8° |
| HC27 | C27 | C28 | HC28 | 0.1° | 0.0° |
| HC28 | C28 | C29 | HC29 | 0.0° | 0.1° |
| C30 | C31 | C32 | HC31 | 179.9° | 180.0° |
| C30 | C31 | C32 | C33 | 0.5° | 0.0° |
| C30 | C31 | C32 | HC32 | 179.6° | 180.0° |
| C31 | C30 | C35 | C34 | 0.0° | 0.5° |
| C31 | C30 | C35 | HC35 | 180.0° | 180.0° |
| C35 | C30 | C31 | C32 | 0.3° | 0.2° |
| C35 | C30 | C31 | HC31 | 179.7° | 179.7° |
| C30 | C35 | C34 | C33 | 1.1° | 0.4° |
| C30 | C35 | C34 | HC35 | 180.0° | 179.5° |
| C30 | C35 | C34 | HC34 | 179.0° | 179.7° |
| C31 | C32 | C33 | HC32 | 179.9° | 179.9° |
| C31 | C32 | C33 | C34 | 1.6° | 0.1° |
| C31 | C32 | C33 | HC33 | 178.4° | 180.0° |
| HC31 | C31 | C32 | C33 | 179.5° | 180.0° |
| HC31 | C31 | C32 | HC32 | 0.5° | 0.1° |
| C32 | C33 | C34 | HC33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 1.8° | 0.2° |
| C32 | C33 | C34 | HC34 | 178.2° | 180.0° |
| HC32 | C32 | C33 | C34 | 178.5° | 180.0° |
| HC32 | C32 | C33 | HC33 | 1.5° | 0.1° |
| C33 | C34 | C35 | HC34 | 179.9° | 179.8° |
| C33 | C34 | C35 | HC35 | 178.9° | 179.9° |
| HC33 | C33 | C34 | C35 | 178.2° | 179.8° |
| HC33 | C33 | C34 | HC34 | 1.8° | 0.0° |
| HC34 | C34 | C35 | HC35 | 1.1° | 0.2° |
