G81
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | C31 | doub | 1.22Å | 1.20Å | |
| C31 | O1 | sing | 1.35Å | 1.44Å | |
| C31 | N33 | sing | 1.35Å | 1.30Å | |
| O1 | C1 | sing | 1.45Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| N33 | C37 | sing | 1.47Å | 1.45Å | |
| C37 | C41 | sing | 1.53Å | 1.53Å | |
| C37 | C39 | sing | 1.51Å | 1.50Å | |
| C41 | C51 | sing | 1.51Å | 1.52Å | |
| C51 | C53 | sing | 1.38Å | 1.41Å | Aromatic |
| C51 | C55 | doub | 1.38Å | 1.43Å | Aromatic |
| C53 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C55 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | O47 | doub | 1.21Å | 1.22Å | |
| C39 | N49 | sing | 1.35Å | 1.35Å | |
| N49 | C57 | sing | 1.47Å | 1.48Å | |
| C57 | C59 | sing | 1.53Å | 1.52Å | |
| C57 | C63 | sing | 1.53Å | 1.50Å | |
| C59 | C61 | sing | 1.53Å | 1.53Å | |
| C61 | C73 | sing | 1.55Å | 1.54Å | |
| C61 | C65 | sing | 1.51Å | 1.51Å | |
| C73 | C71 | sing | 1.54Å | 1.53Å | |
| C71 | N69 | sing | 1.47Å | 1.47Å | |
| N69 | C65 | sing | 1.34Å | 1.34Å | |
| C65 | O66 | doub | 1.21Å | 1.24Å | |
| C63 | C82 | sing | 1.53Å | 1.52Å | |
| C82 | C84 | sing | 1.51Å | 1.52Å | |
| C84 | O88 | doub | 1.21Å | 1.23Å | |
| C84 | O86 | sing | 1.34Å | 1.47Å | |
| O86 | C3 | sing | 1.45Å | 1.46Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| N33 | H33 | sing | 0.97Å | 1.00Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C2 | H23C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C4 | H43C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C6 | H63C | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N49 | H49 | sing | 0.97Å | 1.00Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C73 | H731 | sing | 1.09Å | 1.10Å | |
| C73 | H732 | sing | 1.09Å | 1.10Å | |
| C71 | H711 | sing | 1.09Å | 1.10Å | |
| C71 | H712 | sing | 1.09Å | 1.10Å | |
| N69 | H69 | sing | 0.97Å | 1.00Å | |
| C82 | H821 | sing | 1.09Å | 1.10Å | |
| C82 | H822 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C5 | H53C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | C31 | O1 | 117.0° | 120.0° |
| O35 | C31 | N33 | 123.0° | 120.0° |
| O1 | C31 | N33 | 120.0° | 120.0° |
| C31 | O1 | C1 | 125.3° | 117.0° |
| C31 | N33 | C37 | 122.4° | 120.0° |
| C31 | N33 | H33 | 118.8° | 120.0° |
| O1 | C1 | C2 | 110.2° | 109.4° |
| O1 | C1 | C4 | 101.4° | 109.5° |
| O1 | C1 | C6 | 112.4° | 109.5° |
| C2 | C1 | C4 | 111.6° | 109.5° |
| C2 | C1 | C6 | 105.0° | 109.5° |
| C1 | C2 | H21C | 109.5° | 109.5° |
| C1 | C2 | H22C | 109.5° | 109.5° |
| C1 | C2 | H23C | 109.5° | 109.5° |
| C4 | C1 | C6 | 116.3° | 109.5° |
| C1 | C4 | H41C | 109.5° | 109.5° |
| C1 | C4 | H42C | 109.5° | 109.4° |
| C1 | C4 | H43C | 109.5° | 109.5° |
| C1 | C6 | H61C | 109.5° | 109.5° |
| C1 | C6 | H62C | 109.5° | 109.5° |
| C1 | C6 | H63C | 109.5° | 109.4° |
| N33 | C37 | C41 | 98.7° | 109.5° |
| N33 | C37 | C39 | 115.4° | 109.4° |
| C37 | N33 | H33 | 118.8° | 120.0° |
| N33 | C37 | H37 | 110.3° | 109.5° |
| C41 | C37 | C39 | 113.1° | 109.5° |
| C37 | C41 | C51 | 113.3° | 109.5° |
| C41 | C37 | H37 | 109.2° | 109.5° |
| C37 | C41 | H411 | 108.5° | 109.5° |
| C37 | C41 | H412 | 108.5° | 109.5° |
| C37 | C39 | O47 | 118.5° | 120.0° |
| C37 | C39 | N49 | 120.0° | 120.0° |
| C39 | C37 | H37 | 109.6° | 109.5° |
| C41 | C51 | C53 | 119.0° | 120.0° |
| C41 | C51 | C55 | 120.8° | 120.0° |
| C51 | C41 | H411 | 108.5° | 109.5° |
| C51 | C41 | H412 | 108.5° | 109.5° |
| C53 | C51 | C55 | 120.2° | 120.0° |
| C51 | C53 | C7 | 118.4° | 120.0° |
| C51 | C53 | H53 | 120.8° | 120.0° |
| C51 | C55 | C11 | 120.9° | 120.0° |
| C51 | C55 | H55 | 119.5° | 119.9° |
| C53 | C7 | C9 | 121.1° | 120.0° |
| C7 | C53 | H53 | 120.8° | 120.0° |
| C53 | C7 | H7 | 119.5° | 120.1° |
| C7 | C9 | C11 | 121.7° | 120.0° |
| C9 | C7 | H7 | 119.5° | 120.0° |
| C7 | C9 | H9 | 119.2° | 120.0° |
| C9 | C11 | C55 | 117.7° | 120.1° |
| C11 | C9 | H9 | 119.1° | 120.0° |
| C9 | C11 | H11 | 121.2° | 119.9° |
| C11 | C55 | H55 | 119.5° | 120.1° |
| C55 | C11 | H11 | 121.1° | 120.0° |
| O47 | C39 | N49 | 121.5° | 120.0° |
| C39 | N49 | C57 | 120.7° | 120.0° |
| C39 | N49 | H49 | 119.6° | 120.0° |
| N49 | C57 | C59 | 110.5° | 109.4° |
| N49 | C57 | C63 | 107.3° | 109.5° |
| C57 | N49 | H49 | 119.6° | 120.0° |
| N49 | C57 | H57 | 110.3° | 109.5° |
| C59 | C57 | C63 | 109.1° | 109.5° |
| C57 | C59 | C61 | 112.0° | 109.4° |
| C59 | C57 | H57 | 109.7° | 109.5° |
| C57 | C59 | H591 | 108.8° | 109.5° |
| C57 | C59 | H592 | 108.9° | 109.5° |
| C57 | C63 | C82 | 111.5° | 109.5° |
| C63 | C57 | H57 | 109.9° | 109.5° |
| C57 | C63 | H631 | 109.0° | 109.5° |
| C57 | C63 | H632 | 109.0° | 109.5° |
| C59 | C61 | C73 | 112.6° | 110.5° |
| C59 | C61 | C65 | 112.2° | 110.5° |
| C61 | C59 | H591 | 108.8° | 109.5° |
| C61 | C59 | H592 | 108.8° | 109.5° |
| C59 | C61 | H61 | 109.3° | 110.5° |
| C73 | C61 | C65 | 103.7° | 104.2° |
| C61 | C73 | C71 | 107.4° | 101.8° |
| C73 | C61 | H61 | 109.2° | 110.5° |
| C61 | C73 | H731 | 110.0° | 111.0° |
| C61 | C73 | H732 | 110.0° | 111.0° |
| C61 | C65 | N69 | 106.8° | 110.1° |
| C61 | C65 | O66 | 125.7° | 125.0° |
| C65 | C61 | H61 | 109.7° | 110.6° |
| C73 | C71 | N69 | 99.7° | 105.5° |
| C71 | C73 | H731 | 110.0° | 111.0° |
| C71 | C73 | H732 | 110.0° | 111.0° |
| C73 | C71 | H711 | 111.8° | 110.2° |
| C73 | C71 | H712 | 111.9° | 110.2° |
| C71 | N69 | C65 | 118.2° | 111.3° |
| N69 | C71 | H711 | 111.9° | 110.2° |
| N69 | C71 | H712 | 111.9° | 110.3° |
| C71 | N69 | H69 | 120.9° | 124.3° |
| N69 | C65 | O66 | 127.5° | 125.0° |
| C65 | N69 | H69 | 120.9° | 124.3° |
| C63 | C82 | C84 | 113.3° | 109.5° |
| C82 | C63 | H631 | 109.0° | 109.4° |
| C82 | C63 | H632 | 109.0° | 109.4° |
| C63 | C82 | H821 | 108.5° | 109.4° |
| C63 | C82 | H822 | 108.5° | 109.4° |
| C82 | C84 | O88 | 119.1° | 120.0° |
| C82 | C84 | O86 | 119.5° | 120.0° |
| C84 | C82 | H821 | 108.5° | 109.5° |
| C84 | C82 | H822 | 108.5° | 109.5° |
| O88 | C84 | O86 | 121.4° | 120.0° |
| C84 | O86 | C3 | 121.3° | 117.0° |
| O86 | C3 | C5 | 114.5° | 109.5° |
| O86 | C3 | H31C | 108.2° | 109.5° |
| O86 | C3 | H32C | 108.2° | 109.5° |
| C5 | C3 | H31C | 108.2° | 109.5° |
| C5 | C3 | H32C | 108.2° | 109.5° |
| C3 | C5 | H51C | 109.5° | 109.4° |
| C3 | C5 | H52C | 109.5° | 109.5° |
| C3 | C5 | H53C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H21C | C2 | H23C | 109.5° | 109.5° |
| H22C | C2 | H23C | 109.5° | 109.4° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H41C | C4 | H43C | 109.4° | 109.5° |
| H42C | C4 | H43C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.4° | 109.5° |
| H61C | C6 | H63C | 109.4° | 109.5° |
| H62C | C6 | H63C | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.4° | 109.4° |
| H591 | C59 | H592 | 109.5° | 109.5° |
| H631 | C63 | H632 | 109.5° | 109.5° |
| H731 | C73 | H732 | 109.5° | 110.8° |
| H711 | C71 | H712 | 109.5° | 110.3° |
| H821 | C82 | H822 | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.4° |
| H51C | C5 | H52C | 109.5° | 109.4° |
| H51C | C5 | H53C | 109.4° | 109.5° |
| H52C | C5 | H53C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C31 | O1 | N33 | 179.2° | 179.7° |
| O35 | C31 | O1 | C1 | 10.2° | 0.0° |
| O35 | C31 | N33 | C37 | 3.7° | 0.0° |
| O35 | C31 | N33 | H33 | 176.3° | 180.0° |
| C31 | O1 | C1 | C2 | 154.0° | 60.0° |
| C31 | O1 | C1 | C4 | 87.7° | 180.0° |
| C31 | O1 | C1 | C6 | 37.2° | 59.9° |
| O1 | C31 | N33 | C37 | 177.1° | 179.7° |
| O1 | C31 | N33 | H33 | 2.9° | 0.4° |
| N33 | C31 | O1 | C1 | 170.6° | 179.7° |
| C31 | N33 | C37 | H33 | 180.0° | 179.9° |
| C31 | N33 | C37 | C41 | 170.8° | 85.0° |
| C31 | N33 | C37 | C39 | 68.4° | 155.1° |
| C31 | N33 | C37 | H37 | 56.5° | 35.1° |
| O1 | C1 | C2 | C4 | 111.9° | 120.0° |
| O1 | C1 | C2 | C6 | 121.3° | 120.0° |
| O1 | C1 | C4 | C6 | 122.3° | 120.0° |
| O1 | C1 | C2 | H21C | 180.0° | 60.1° |
| O1 | C1 | C2 | H22C | 60.0° | 179.9° |
| O1 | C1 | C2 | H23C | 60.0° | 60.0° |
| O1 | C1 | C4 | H41C | 180.0° | 60.0° |
| O1 | C1 | C4 | H42C | 60.0° | 180.0° |
| O1 | C1 | C4 | H43C | 60.0° | 60.0° |
| O1 | C1 | C6 | H61C | 180.0° | 59.9° |
| O1 | C1 | C6 | H62C | 60.0° | 180.0° |
| O1 | C1 | C6 | H63C | 60.0° | 60.0° |
| C2 | C1 | C4 | C6 | 120.4° | 120.0° |
| C1 | C2 | H21C | H22C | 120.0° | 120.0° |
| C1 | C2 | H21C | H23C | 120.0° | 120.0° |
| C1 | C2 | H22C | H23C | 120.0° | 120.0° |
| C2 | C1 | C4 | H41C | 62.6° | 180.0° |
| C2 | C1 | C4 | H42C | 177.3° | 60.0° |
| C2 | C1 | C4 | H43C | 57.3° | 60.0° |
| C2 | C1 | C6 | H61C | 60.2° | 60.0° |
| C2 | C1 | C6 | H62C | 59.8° | 60.1° |
| C2 | C1 | C6 | H63C | 179.9° | 180.0° |
| C4 | C1 | C2 | H21C | 68.1° | 60.0° |
| C4 | C1 | C2 | H22C | 51.9° | 60.1° |
| C4 | C1 | C2 | H23C | 171.9° | 180.0° |
| C1 | C4 | H41C | H42C | 120.0° | 119.9° |
| C1 | C4 | H41C | H43C | 120.0° | 120.0° |
| C1 | C4 | H42C | H43C | 120.0° | 120.0° |
| C4 | C1 | C6 | H61C | 63.7° | 180.0° |
| C4 | C1 | C6 | H62C | 176.3° | 60.0° |
| C4 | C1 | C6 | H63C | 56.2° | 60.0° |
| C6 | C1 | C2 | H21C | 58.7° | 180.0° |
| C6 | C1 | C2 | H22C | 178.7° | 60.0° |
| C6 | C1 | C2 | H23C | 61.3° | 60.0° |
| C6 | C1 | C4 | H41C | 57.8° | 60.0° |
| C6 | C1 | C4 | H42C | 62.3° | 60.0° |
| C6 | C1 | C4 | H43C | 177.7° | 180.0° |
| C1 | C6 | H61C | H62C | 120.0° | 120.0° |
| C1 | C6 | H61C | H63C | 120.0° | 119.9° |
| C1 | C6 | H62C | H63C | 120.0° | 119.9° |
| N33 | C37 | C41 | C39 | 122.4° | 119.9° |
| N33 | C37 | C41 | H37 | 115.2° | 120.1° |
| N33 | C37 | C39 | H37 | 125.3° | 120.0° |
| N33 | C37 | C41 | C51 | 177.9° | 65.0° |
| N33 | C37 | C39 | O47 | 38.7° | 0.0° |
| N33 | C37 | C39 | N49 | 141.4° | 180.0° |
| N33 | C37 | C41 | H411 | 61.5° | 55.0° |
| N33 | C37 | C41 | H412 | 57.3° | 174.9° |
| C41 | C37 | C39 | H37 | 122.1° | 120.0° |
| C37 | C41 | C51 | H411 | 120.6° | 120.0° |
| C37 | C41 | C51 | H412 | 120.6° | 120.0° |
| C37 | C41 | C51 | C53 | 135.3° | 90.0° |
| C37 | C41 | C51 | C55 | 46.1° | 90.3° |
| C41 | C37 | C39 | O47 | 73.9° | 120.0° |
| C41 | C37 | C39 | N49 | 106.0° | 60.0° |
| C41 | C37 | N33 | H33 | 9.2° | 94.9° |
| C37 | C41 | H411 | H412 | 118.2° | 120.0° |
| C39 | C37 | C41 | C51 | 55.5° | 175.0° |
| C37 | C39 | O47 | N49 | 179.9° | 179.9° |
| C37 | C39 | N49 | C57 | 178.7° | 175.0° |
| C39 | C37 | N33 | H33 | 111.6° | 25.0° |
| C39 | C37 | C41 | H411 | 176.1° | 65.0° |
| C39 | C37 | C41 | H412 | 65.1° | 55.0° |
| C37 | C39 | N49 | H49 | 1.3° | 4.9° |
| C41 | C51 | C53 | C55 | 178.6° | 179.7° |
| C41 | C51 | C53 | C7 | 179.8° | 180.0° |
| C41 | C51 | C55 | C11 | 179.9° | 179.8° |
| C51 | C41 | C37 | H37 | 66.9° | 55.0° |
| C51 | C41 | H411 | H412 | 118.3° | 120.0° |
| C41 | C51 | C53 | H53 | 0.2° | 0.1° |
| C41 | C51 | C55 | H55 | 0.1° | 0.1° |
| C51 | C53 | C7 | H53 | 180.0° | 179.9° |
| C51 | C53 | C7 | C9 | 0.0° | 0.1° |
| C53 | C51 | C55 | C11 | 1.5° | 0.5° |
| C53 | C51 | C41 | H411 | 104.1° | 30.0° |
| C53 | C51 | C41 | H412 | 14.8° | 149.9° |
| C53 | C51 | C55 | H55 | 178.5° | 179.7° |
| C51 | C53 | C7 | H7 | 180.0° | 180.0° |
| C55 | C51 | C53 | C7 | 1.2° | 0.3° |
| C51 | C55 | C11 | C9 | 0.6° | 0.5° |
| C51 | C55 | C11 | H55 | 180.0° | 179.7° |
| C55 | C51 | C41 | H411 | 74.5° | 149.7° |
| C55 | C51 | C41 | H412 | 166.6° | 29.7° |
| C55 | C51 | C53 | H53 | 178.8° | 179.8° |
| C51 | C55 | C11 | H11 | 179.4° | 179.7° |
| C53 | C7 | C9 | H7 | 180.0° | 180.0° |
| C53 | C7 | C9 | C11 | 0.9° | 0.0° |
| C53 | C7 | C9 | H9 | 179.1° | 180.0° |
| C7 | C9 | C11 | H9 | 180.0° | 180.0° |
| C7 | C9 | C11 | C55 | 0.6° | 0.2° |
| C9 | C7 | C53 | H53 | 180.0° | 180.0° |
| C7 | C9 | C11 | H11 | 179.4° | 180.0° |
| C9 | C11 | C55 | H11 | 180.0° | 179.8° |
| C9 | C11 | C55 | H55 | 179.4° | 179.8° |
| C11 | C9 | C7 | H7 | 179.1° | 180.0° |
| C55 | C11 | C9 | H9 | 179.4° | 179.8° |
| O47 | C39 | N49 | C57 | 1.2° | 5.0° |
| O47 | C39 | C37 | H37 | 164.0° | 120.0° |
| O47 | C39 | N49 | H49 | 178.8° | 175.0° |
| C39 | N49 | C57 | H49 | 180.0° | 179.9° |
| C39 | N49 | C57 | C59 | 113.4° | 89.1° |
| C39 | N49 | C57 | C63 | 127.7° | 150.9° |
| N49 | C39 | C37 | H37 | 16.1° | 60.0° |
| C39 | N49 | C57 | H57 | 8.0° | 30.8° |
| N49 | C57 | C59 | C63 | 117.7° | 120.0° |
| N49 | C57 | C59 | H57 | 121.8° | 120.0° |
| N49 | C57 | C63 | H57 | 119.9° | 120.0° |
| N49 | C57 | C59 | C61 | 68.3° | 176.0° |
| N49 | C57 | C63 | C82 | 71.6° | 65.0° |
| N49 | C57 | C59 | H591 | 52.0° | 56.0° |
| N49 | C57 | C59 | H592 | 171.3° | 64.0° |
| N49 | C57 | C63 | H631 | 168.2° | 175.0° |
| N49 | C57 | C63 | H632 | 48.7° | 54.9° |
| C59 | C57 | C63 | H57 | 120.4° | 120.0° |
| C57 | C59 | C61 | H591 | 120.4° | 120.0° |
| C57 | C59 | C61 | H592 | 120.4° | 120.0° |
| C57 | C59 | C61 | C73 | 54.8° | 173.4° |
| C57 | C59 | C61 | C65 | 171.4° | 71.8° |
| C59 | C57 | C63 | C82 | 168.7° | 175.0° |
| C59 | C57 | N49 | H49 | 66.6° | 90.9° |
| C57 | C59 | H591 | H592 | 118.9° | 120.0° |
| C59 | C57 | C63 | H631 | 48.5° | 55.0° |
| C59 | C57 | C63 | H632 | 71.0° | 65.0° |
| C57 | C59 | C61 | H61 | 66.8° | 50.9° |
| C63 | C57 | C59 | C61 | 174.0° | 64.0° |
| C57 | C63 | C82 | H631 | 120.3° | 120.0° |
| C57 | C63 | C82 | H632 | 120.3° | 120.0° |
| C57 | C63 | C82 | C84 | 73.4° | 180.0° |
| C63 | C57 | N49 | H49 | 52.3° | 29.0° |
| C63 | C57 | C59 | H591 | 65.6° | 176.0° |
| C63 | C57 | C59 | H592 | 53.6° | 56.0° |
| C57 | C63 | H631 | H632 | 119.1° | 120.1° |
| C57 | C63 | C82 | H821 | 166.0° | 60.0° |
| C57 | C63 | C82 | H822 | 47.1° | 60.0° |
| C59 | C61 | C73 | C65 | 121.6° | 118.7° |
| C59 | C61 | C73 | H61 | 121.6° | 122.5° |
| C59 | C61 | C65 | H61 | 121.6° | 122.6° |
| C59 | C61 | C73 | C71 | 141.9° | 143.5° |
| C59 | C61 | C65 | N69 | 135.4° | 134.9° |
| C59 | C61 | C65 | O66 | 43.8° | 45.1° |
| C61 | C59 | C57 | H57 | 53.5° | 56.0° |
| C61 | C59 | H591 | H592 | 118.9° | 120.0° |
| C59 | C61 | C73 | H731 | 22.2° | 25.4° |
| C59 | C61 | C73 | H732 | 98.4° | 98.4° |
| C73 | C61 | C65 | H61 | 116.5° | 118.7° |
| C61 | C73 | C71 | H731 | 119.7° | 118.1° |
| C61 | C73 | C71 | H732 | 119.7° | 118.2° |
| C61 | C73 | C71 | N69 | 18.5° | 25.4° |
| C73 | C61 | C65 | N69 | 13.5° | 16.2° |
| C73 | C61 | C65 | O66 | 165.7° | 163.8° |
| C73 | C61 | C59 | H591 | 175.1° | 66.6° |
| C73 | C61 | C59 | H592 | 65.6° | 53.5° |
| C61 | C73 | H731 | H732 | 121.0° | 123.8° |
| C61 | C73 | C71 | H711 | 136.9° | 144.4° |
| C61 | C73 | C71 | H712 | 99.9° | 93.6° |
| C65 | C61 | C73 | C71 | 20.3° | 24.8° |
| C61 | C65 | N69 | C71 | 1.7° | 0.4° |
| C61 | C65 | N69 | O66 | 179.2° | 179.9° |
| C65 | C61 | C59 | H591 | 68.3° | 48.2° |
| C65 | C61 | C59 | H592 | 51.0° | 168.3° |
| C65 | C61 | C73 | H731 | 99.4° | 93.4° |
| C65 | C61 | C73 | H732 | 140.0° | 142.9° |
| C61 | C65 | N69 | H69 | 178.3° | 179.6° |
| C73 | C71 | N69 | H711 | 118.4° | 118.9° |
| C73 | C71 | N69 | H712 | 118.4° | 119.0° |
| C73 | C71 | N69 | C65 | 10.9° | 17.0° |
| C71 | C73 | C61 | H61 | 96.5° | 94.0° |
| C71 | C73 | H731 | H732 | 120.9° | 123.8° |
| C73 | C71 | H711 | H712 | 124.5° | 122.0° |
| C73 | C71 | N69 | H69 | 169.1° | 163.0° |
| C71 | N69 | C65 | H69 | 180.0° | 179.9° |
| C71 | N69 | C65 | O66 | 177.6° | 179.5° |
| N69 | C71 | C73 | H731 | 101.1° | 92.7° |
| N69 | C71 | C73 | H732 | 138.2° | 143.6° |
| N69 | C71 | H711 | H712 | 124.6° | 122.1° |
| N69 | C65 | C61 | H61 | 103.0° | 102.5° |
| C65 | N69 | C71 | H711 | 129.3° | 136.0° |
| C65 | N69 | C71 | H712 | 107.5° | 102.0° |
| O66 | C65 | C61 | H61 | 77.8° | 77.5° |
| O66 | C65 | N69 | H69 | 2.4° | 0.5° |
| C63 | C82 | C84 | H821 | 120.6° | 119.9° |
| C63 | C82 | C84 | H822 | 120.6° | 120.0° |
| C63 | C82 | C84 | O88 | 33.5° | 0.1° |
| C63 | C82 | C84 | O86 | 146.7° | 180.0° |
| C82 | C63 | C57 | H57 | 48.4° | 55.0° |
| C82 | C63 | H631 | H632 | 119.1° | 119.9° |
| C63 | C82 | H821 | H822 | 118.3° | 120.0° |
| C82 | C84 | O88 | O86 | 179.8° | 179.9° |
| C82 | C84 | O86 | C3 | 90.1° | 180.0° |
| C84 | C82 | C63 | H631 | 46.8° | 60.0° |
| C84 | C82 | C63 | H632 | 166.3° | 60.0° |
| C84 | C82 | H821 | H822 | 118.2° | 120.1° |
| O88 | C84 | O86 | C3 | 89.7° | 0.0° |
| O88 | C84 | C82 | H821 | 87.1° | 120.0° |
| O88 | C84 | C82 | H822 | 154.1° | 119.9° |
| C84 | O86 | C3 | C5 | 164.6° | 180.0° |
| O86 | C84 | C82 | H821 | 92.7° | 60.1° |
| O86 | C84 | C82 | H822 | 26.1° | 60.0° |
| C84 | O86 | C3 | H31C | 74.7° | 60.0° |
| C84 | O86 | C3 | H32C | 43.8° | 60.0° |
| O86 | C3 | C5 | H31C | 120.7° | 120.0° |
| O86 | C3 | C5 | H32C | 120.8° | 120.0° |
| O86 | C3 | H31C | H32C | 117.7° | 120.0° |
| O86 | C3 | C5 | H51C | 180.0° | 59.9° |
| O86 | C3 | C5 | H52C | 60.0° | 60.0° |
| O86 | C3 | C5 | H53C | 60.0° | 180.0° |
| C5 | C3 | H31C | H32C | 117.7° | 120.0° |
| C3 | C5 | H51C | H52C | 120.0° | 119.9° |
| C3 | C5 | H51C | H53C | 120.0° | 120.1° |
| C3 | C5 | H52C | H53C | 120.0° | 120.1° |
| H33 | N33 | C37 | H37 | 123.5° | 145.0° |
| H21C | C2 | H22C | H23C | 120.0° | 120.0° |
| H41C | C4 | H42C | H43C | 120.0° | 120.1° |
| H61C | C6 | H62C | H63C | 120.0° | 120.0° |
| H37 | C37 | C41 | H411 | 53.7° | 175.0° |
| H37 | C37 | C41 | H412 | 172.5° | 65.0° |
| H53 | C53 | C7 | H7 | 0.0° | 0.1° |
| H55 | C55 | C11 | H11 | 0.6° | 0.0° |
| H7 | C7 | C9 | H9 | 0.9° | 0.0° |
| H9 | C9 | C11 | H11 | 0.6° | 0.0° |
| H49 | N49 | C57 | H57 | 172.0° | 149.1° |
| H57 | C57 | C59 | H591 | 173.9° | 63.9° |
| H57 | C57 | C59 | H592 | 66.9° | 176.0° |
| H57 | C57 | C63 | H631 | 71.9° | 65.0° |
| H57 | C57 | C63 | H632 | 168.7° | 175.0° |
| H591 | C59 | C61 | H61 | 53.6° | 170.9° |
| H592 | C59 | C61 | H61 | 172.8° | 69.1° |
| H631 | C63 | C82 | H821 | 73.7° | 180.0° |
| H631 | C63 | C82 | H822 | 167.4° | 60.0° |
| H632 | C63 | C82 | H821 | 45.7° | 60.0° |
| H632 | C63 | C82 | H822 | 73.2° | NaN° |
| H61 | C61 | C73 | H731 | 143.8° | 147.9° |
| H61 | C61 | C73 | H732 | 23.2° | 24.2° |
| H731 | C73 | C71 | H711 | 17.3° | 26.3° |
| H731 | C73 | C71 | H712 | 140.5° | 148.3° |
| H732 | C73 | C71 | H711 | 103.4° | 97.5° |
| H732 | C73 | C71 | H712 | 19.8° | 24.5° |
| H711 | C71 | N69 | H69 | 50.7° | 44.1° |
| H712 | C71 | N69 | H69 | 72.5° | 78.0° |
| H31C | C3 | C5 | H51C | 59.3° | 180.0° |
| H31C | C3 | C5 | H52C | 179.3° | 60.1° |
| H31C | C3 | C5 | H53C | 60.7° | 60.0° |
| H32C | C3 | C5 | H51C | 59.3° | 60.1° |
| H32C | C3 | C5 | H52C | 60.7° | 180.0° |
| H32C | C3 | C5 | H53C | 179.2° | 60.0° |
| H51C | C5 | H52C | H53C | 120.0° | 120.0° |
