G83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C17 | doub | 1.22Å | 1.21Å | |
| C17 | O15 | sing | 1.35Å | 1.46Å | |
| C17 | N21 | sing | 1.35Å | 1.33Å | |
| O15 | C13 | sing | 1.45Å | 1.44Å | |
| C13 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| N21 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C31 | sing | 1.51Å | 1.51Å | |
| C25 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | O1 | doub | 1.21Å | 1.22Å | |
| C14 | O2 | sing | 1.34Å | 1.46Å | |
| O2 | C29 | sing | 1.45Å | 1.43Å | |
| C29 | C12 | sing | 1.53Å | 1.54Å | |
| C29 | C43 | sing | 1.53Å | 1.53Å | |
| C29 | C45 | sing | 1.53Å | 1.53Å | |
| C31 | O35 | doub | 1.21Å | 1.22Å | |
| C31 | N33 | sing | 1.35Å | 1.33Å | |
| N33 | C37 | sing | 1.47Å | 1.46Å | |
| C37 | C41 | sing | 1.53Å | 1.54Å | |
| C37 | C39 | sing | 1.51Å | 1.51Å | |
| C41 | C51 | sing | 1.51Å | 1.52Å | |
| C51 | C53 | sing | 1.38Å | 1.42Å | Aromatic |
| C51 | C55 | doub | 1.38Å | 1.43Å | Aromatic |
| C53 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C55 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | O47 | doub | 1.21Å | 1.23Å | |
| C39 | N49 | sing | 1.35Å | 1.36Å | |
| N49 | C57 | sing | 1.47Å | 1.47Å | |
| C57 | C59 | sing | 1.53Å | 1.54Å | |
| C57 | C63 | sing | 1.53Å | 1.53Å | |
| C59 | C61 | sing | 1.53Å | 1.54Å | |
| C61 | C73 | sing | 1.55Å | 1.55Å | |
| C61 | C65 | sing | 1.51Å | 1.51Å | |
| C73 | C71 | sing | 1.54Å | 1.54Å | |
| C71 | N69 | sing | 1.47Å | 1.47Å | |
| N69 | C65 | sing | 1.34Å | 1.27Å | |
| C65 | O66 | doub | 1.21Å | 1.33Å | |
| C63 | C82 | sing | 1.53Å | 1.53Å | |
| C82 | C84 | sing | 1.51Å | 1.53Å | |
| C84 | O88 | doub | 1.21Å | 1.24Å | |
| C84 | O86 | sing | 1.34Å | 1.47Å | |
| O86 | C3 | sing | 1.45Å | 1.45Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| N33 | H33 | sing | 0.97Å | 1.00Å | |
| 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) |
| O19 | C17 | O15 | 116.7° | 120.0° |
| O19 | C17 | N21 | 121.2° | 120.0° |
| O15 | C17 | N21 | 122.1° | 120.0° |
| C17 | O15 | C13 | 121.2° | 117.0° |
| C17 | N21 | C23 | 123.7° | 120.0° |
| C17 | N21 | H21 | 118.2° | 120.0° |
| O15 | C13 | C4 | 109.0° | 109.5° |
| O15 | C13 | H131 | 109.6° | 109.5° |
| O15 | C13 | H132 | 109.6° | 109.5° |
| C13 | C4 | C6 | 120.1° | 120.0° |
| C13 | C4 | C2 | 121.0° | 120.0° |
| C4 | C13 | H131 | 109.6° | 109.4° |
| C4 | C13 | H132 | 109.6° | 109.5° |
| C6 | C4 | C2 | 118.9° | 120.0° |
| C4 | C6 | C8 | 121.4° | 120.0° |
| C4 | C6 | H6 | 119.3° | 120.0° |
| C4 | C2 | C1 | 120.6° | 120.0° |
| C4 | C2 | H2 | 119.7° | 120.0° |
| C6 | C8 | C10 | 119.1° | 120.0° |
| C8 | C6 | H6 | 119.3° | 120.0° |
| C6 | C8 | H8 | 120.4° | 120.0° |
| C8 | C10 | C1 | 119.9° | 120.0° |
| C10 | C8 | H8 | 120.5° | 120.0° |
| C8 | C10 | H10 | 120.1° | 120.0° |
| C10 | C1 | C2 | 120.1° | 120.0° |
| C1 | C10 | H10 | 120.1° | 120.0° |
| C10 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| N21 | C23 | C25 | 108.7° | 109.5° |
| N21 | C23 | C31 | 108.6° | 109.5° |
| C23 | N21 | H21 | 118.2° | 120.0° |
| N21 | C23 | H23 | 110.7° | 109.4° |
| C25 | C23 | C31 | 108.9° | 109.5° |
| C23 | C25 | C14 | 111.0° | 109.5° |
| C25 | C23 | H23 | 109.8° | 109.5° |
| C23 | C25 | H251 | 109.1° | 109.5° |
| C23 | C25 | H252 | 109.1° | 109.5° |
| C23 | C31 | O35 | 117.8° | 120.0° |
| C23 | C31 | N33 | 120.1° | 120.0° |
| C31 | C23 | H23 | 110.0° | 109.4° |
| C25 | C14 | O1 | 122.2° | 120.0° |
| C25 | C14 | O2 | 116.8° | 120.0° |
| C14 | C25 | H251 | 109.1° | 109.4° |
| C14 | C25 | H252 | 109.1° | 109.5° |
| O1 | C14 | O2 | 121.0° | 120.0° |
| C14 | O2 | C29 | 127.2° | 117.0° |
| O2 | C29 | C12 | 109.4° | 109.4° |
| O2 | C29 | C43 | 106.5° | 109.5° |
| O2 | C29 | C45 | 110.1° | 109.5° |
| C12 | C29 | C43 | 109.7° | 109.5° |
| C12 | C29 | C45 | 111.2° | 109.5° |
| C29 | C12 | H121 | 109.5° | 109.4° |
| C29 | C12 | H122 | 109.5° | 109.5° |
| C29 | C12 | H123 | 109.5° | 109.4° |
| C43 | C29 | C45 | 109.9° | 109.5° |
| C29 | C43 | H431 | 109.5° | 109.5° |
| C29 | C43 | H432 | 109.5° | 109.5° |
| C29 | C43 | H433 | 109.5° | 109.5° |
| C29 | C45 | H451 | 109.5° | 109.5° |
| C29 | C45 | H452 | 109.5° | 109.5° |
| C29 | C45 | H453 | 109.4° | 109.5° |
| O35 | C31 | N33 | 122.1° | 120.0° |
| C31 | N33 | C37 | 121.2° | 120.0° |
| C31 | N33 | H33 | 119.4° | 120.0° |
| N33 | C37 | C41 | 106.3° | 109.5° |
| N33 | C37 | C39 | 108.3° | 109.4° |
| C37 | N33 | H33 | 119.4° | 120.0° |
| N33 | C37 | H37 | 110.1° | 109.5° |
| C41 | C37 | C39 | 113.8° | 109.5° |
| C37 | C41 | C51 | 109.9° | 109.5° |
| C41 | C37 | H37 | 109.0° | 109.5° |
| C37 | C41 | H411 | 109.3° | 109.4° |
| C37 | C41 | H412 | 109.4° | 109.5° |
| C37 | C39 | O47 | 118.8° | 120.0° |
| C37 | C39 | N49 | 119.2° | 120.0° |
| C39 | C37 | H37 | 109.3° | 109.5° |
| C41 | C51 | C53 | 119.9° | 120.0° |
| C41 | C51 | C55 | 120.8° | 120.0° |
| C51 | C41 | H411 | 109.4° | 109.5° |
| C51 | C41 | H412 | 109.3° | 109.5° |
| C53 | C51 | C55 | 119.4° | 120.0° |
| C51 | C53 | C7 | 119.6° | 120.0° |
| C51 | C53 | H53 | 120.2° | 120.1° |
| C51 | C55 | C11 | 121.5° | 120.0° |
| C51 | C55 | H55 | 119.2° | 120.0° |
| C53 | C7 | C9 | 119.9° | 120.0° |
| C7 | C53 | H53 | 120.2° | 120.0° |
| C53 | C7 | H7 | 120.1° | 120.0° |
| C7 | C9 | C11 | 121.6° | 120.0° |
| C9 | C7 | H7 | 120.0° | 120.0° |
| C7 | C9 | H9 | 119.2° | 120.0° |
| C9 | C11 | C55 | 118.0° | 120.0° |
| C11 | C9 | H9 | 119.2° | 120.1° |
| C9 | C11 | H11 | 121.0° | 120.0° |
| C11 | C55 | H55 | 119.3° | 120.0° |
| C55 | C11 | H11 | 121.0° | 120.0° |
| O47 | C39 | N49 | 122.0° | 120.0° |
| C39 | N49 | C57 | 120.7° | 120.0° |
| C39 | N49 | H49 | 119.6° | 120.1° |
| N49 | C57 | C59 | 108.5° | 109.5° |
| N49 | C57 | C63 | 107.8° | 109.5° |
| C57 | N49 | H49 | 119.6° | 119.9° |
| N49 | C57 | H57 | 109.3° | 109.4° |
| C59 | C57 | C63 | 114.2° | 109.5° |
| C57 | C59 | C61 | 114.9° | 109.5° |
| C59 | C57 | H57 | 108.4° | 109.4° |
| C57 | C59 | H591 | 108.1° | 109.5° |
| C57 | C59 | H592 | 108.1° | 109.5° |
| C57 | C63 | C82 | 112.7° | 109.5° |
| C63 | C57 | H57 | 108.5° | 109.5° |
| C57 | C63 | H631 | 108.6° | 109.5° |
| C57 | C63 | H632 | 108.6° | 109.4° |
| C59 | C61 | C73 | 116.1° | 110.5° |
| C59 | C61 | C65 | 112.7° | 110.5° |
| C61 | C59 | H591 | 108.1° | 109.5° |
| C61 | C59 | H592 | 108.1° | 109.5° |
| C59 | C61 | H61 | 108.5° | 110.5° |
| C73 | C61 | C65 | 101.9° | 104.2° |
| C61 | C73 | C71 | 107.3° | 101.7° |
| C73 | C61 | H61 | 108.4° | 110.5° |
| C61 | C73 | H731 | 110.0° | 110.9° |
| C61 | C73 | H732 | 110.0° | 110.9° |
| C61 | C65 | N69 | 110.4° | 110.1° |
| C61 | C65 | O66 | 125.4° | 124.9° |
| C65 | C61 | H61 | 108.9° | 110.6° |
| C73 | C71 | N69 | 99.3° | 105.5° |
| C71 | C73 | H731 | 110.0° | 111.0° |
| C71 | C73 | H732 | 110.0° | 111.0° |
| C73 | C71 | H711 | 111.9° | 110.2° |
| C73 | C71 | H712 | 111.9° | 110.3° |
| C71 | N69 | C65 | 118.0° | 111.3° |
| N69 | C71 | H711 | 111.9° | 110.2° |
| N69 | C71 | H712 | 111.9° | 110.2° |
| C71 | N69 | H69 | 121.0° | 124.4° |
| N69 | C65 | O66 | 124.2° | 124.9° |
| C65 | N69 | H69 | 121.0° | 124.3° |
| C63 | C82 | C84 | 112.8° | 109.5° |
| C82 | C63 | H631 | 108.6° | 109.5° |
| C82 | C63 | H632 | 108.7° | 109.5° |
| C63 | C82 | H821 | 108.7° | 109.5° |
| C63 | C82 | H822 | 108.6° | 109.5° |
| C82 | C84 | O88 | 120.5° | 120.0° |
| C82 | C84 | O86 | 119.6° | 120.0° |
| C84 | C82 | H821 | 108.6° | 109.4° |
| C84 | C82 | H822 | 108.7° | 109.5° |
| O88 | C84 | O86 | 119.9° | 120.0° |
| C84 | O86 | C3 | 123.3° | 117.0° |
| O86 | C3 | C5 | 112.9° | 109.5° |
| O86 | C3 | H31C | 108.6° | 109.5° |
| O86 | C3 | H32C | 108.6° | 109.5° |
| C5 | C3 | H31C | 108.6° | 109.5° |
| C5 | C3 | H32C | 108.6° | 109.5° |
| C3 | C5 | H51C | 109.5° | 109.5° |
| C3 | C5 | H52C | 109.5° | 109.4° |
| C3 | C5 | H53C | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.4° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.4° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H451 | C45 | H453 | 109.5° | 109.4° |
| H452 | C45 | H453 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H591 | C59 | H592 | 109.5° | 109.5° |
| H631 | C63 | H632 | 109.5° | 109.5° |
| H731 | C73 | H732 | 109.5° | 111.0° |
| H711 | C71 | H712 | 109.5° | 110.3° |
| H821 | C82 | H822 | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.4° |
| H51C | C5 | H52C | 109.4° | 109.5° |
| H51C | C5 | H53C | 109.5° | 109.5° |
| H52C | C5 | H53C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C17 | O15 | N21 | 180.0° | 179.7° |
| O19 | C17 | O15 | C13 | 7.6° | 0.0° |
| O19 | C17 | N21 | C23 | 3.2° | 5.0° |
| O19 | C17 | N21 | H21 | 176.8° | 175.0° |
| C17 | O15 | C13 | C4 | 80.3° | 180.0° |
| O15 | C17 | N21 | C23 | 176.8° | 174.7° |
| O15 | C17 | N21 | H21 | 3.2° | 5.3° |
| C17 | O15 | C13 | H131 | 39.6° | 60.1° |
| C17 | O15 | C13 | H132 | 159.8° | 60.0° |
| N21 | C17 | O15 | C13 | 172.3° | 179.7° |
| C17 | N21 | C23 | H21 | 180.0° | 180.0° |
| C17 | N21 | C23 | C25 | 127.3° | 147.8° |
| C17 | N21 | C23 | C31 | 114.3° | 92.2° |
| C17 | N21 | C23 | H23 | 6.6° | 27.7° |
| O15 | C13 | C4 | H131 | 119.9° | 119.9° |
| O15 | C13 | C4 | H132 | 119.9° | 120.0° |
| O15 | C13 | C4 | C6 | 99.2° | 90.0° |
| O15 | C13 | C4 | C2 | 79.8° | 90.3° |
| O15 | C13 | H131 | H132 | 120.2° | 120.0° |
| C13 | C4 | C6 | C2 | 179.0° | 179.7° |
| C13 | C4 | C6 | C8 | 179.5° | 180.0° |
| C13 | C4 | C2 | C1 | 179.5° | 179.8° |
| C4 | C13 | H131 | H132 | 120.2° | 120.0° |
| C13 | C4 | C6 | H6 | 0.5° | 0.1° |
| C13 | C4 | C2 | H2 | 0.5° | 0.0° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | C10 | 0.1° | 0.0° |
| C6 | C4 | C2 | C1 | 0.5° | 0.5° |
| C6 | C4 | C13 | H131 | 140.9° | 29.9° |
| C6 | C4 | C13 | H132 | 20.7° | 150.0° |
| C6 | C4 | C2 | H2 | 179.5° | 179.7° |
| C4 | C6 | C8 | H8 | 180.0° | 179.9° |
| C2 | C4 | C6 | C8 | 0.5° | 0.3° |
| C4 | C2 | C1 | C10 | 0.1° | 0.4° |
| C4 | C2 | C1 | H2 | 180.0° | 179.8° |
| C2 | C4 | C13 | H131 | 40.2° | 149.8° |
| C2 | C4 | C13 | H132 | 160.3° | 29.7° |
| C2 | C4 | C6 | H6 | 179.4° | 179.8° |
| C4 | C2 | C1 | H1 | 179.9° | 179.7° |
| C6 | C8 | C10 | H8 | 180.0° | 179.9° |
| C6 | C8 | C10 | C1 | 0.4° | 0.1° |
| C6 | C8 | C10 | H10 | 179.6° | 180.0° |
| C8 | C10 | C1 | H10 | 180.0° | 180.0° |
| C8 | C10 | C1 | C2 | 0.4° | 0.2° |
| C10 | C8 | C6 | H6 | 179.9° | 179.9° |
| C8 | C10 | C1 | H1 | 179.6° | 180.0° |
| C10 | C1 | C2 | H1 | 180.0° | 179.9° |
| C10 | C1 | C2 | H2 | 179.9° | 179.8° |
| C1 | C10 | C8 | H8 | 179.6° | 180.0° |
| C2 | C1 | C10 | H10 | 179.6° | 179.8° |
| N21 | C23 | C25 | C31 | 118.2° | 120.0° |
| N21 | C23 | C25 | H23 | 121.2° | 120.0° |
| N21 | C23 | C31 | H23 | 121.3° | 119.9° |
| N21 | C23 | C25 | C14 | 59.3° | 65.6° |
| N21 | C23 | C31 | O35 | 27.0° | 0.0° |
| N21 | C23 | C31 | N33 | 152.2° | 180.0° |
| N21 | C23 | C25 | H251 | 60.9° | 54.4° |
| N21 | C23 | C25 | H252 | 179.6° | 174.4° |
| C25 | C23 | C31 | H23 | 120.4° | 120.0° |
| C23 | C25 | C14 | H251 | 120.2° | 120.0° |
| C23 | C25 | C14 | H252 | 120.2° | 120.0° |
| C23 | C25 | C14 | O1 | 50.6° | 5.8° |
| C23 | C25 | C14 | O2 | 127.7° | 174.3° |
| C25 | C23 | C31 | O35 | 91.3° | 120.0° |
| C25 | C23 | C31 | N33 | 89.5° | 60.0° |
| C25 | C23 | N21 | H21 | 52.7° | 32.2° |
| C23 | C25 | H251 | H252 | 119.3° | 120.0° |
| C31 | C23 | C25 | C14 | 177.5° | 174.4° |
| C23 | C31 | O35 | N33 | 179.2° | 180.0° |
| C23 | C31 | N33 | C37 | 179.5° | 180.0° |
| C31 | C23 | N21 | H21 | 65.7° | 87.8° |
| C31 | C23 | C25 | H251 | 57.3° | 65.6° |
| C31 | C23 | C25 | H252 | 62.2° | 54.4° |
| C23 | C31 | N33 | H33 | 0.5° | 0.0° |
| C25 | C14 | O1 | O2 | 178.3° | 180.0° |
| C25 | C14 | O2 | C29 | 170.6° | 180.0° |
| C14 | C25 | C23 | H23 | 61.9° | 54.4° |
| C14 | C25 | H251 | H252 | 119.3° | 120.0° |
| O1 | C14 | O2 | C29 | 11.1° | 0.0° |
| O1 | C14 | C25 | H251 | 170.8° | 125.8° |
| O1 | C14 | C25 | H252 | 69.6° | 114.3° |
| C14 | O2 | C29 | C12 | 52.5° | 60.0° |
| C14 | O2 | C29 | C43 | 171.1° | 180.0° |
| C14 | O2 | C29 | C45 | 69.9° | 60.0° |
| O2 | C14 | C25 | H251 | 7.5° | 54.2° |
| O2 | C14 | C25 | H252 | 112.0° | 65.7° |
| O2 | C29 | C12 | C43 | 116.5° | 120.0° |
| O2 | C29 | C12 | C45 | 121.8° | 120.0° |
| O2 | C29 | C43 | C45 | 119.2° | 120.0° |
| O2 | C29 | C12 | H121 | 180.0° | 60.0° |
| O2 | C29 | C12 | H122 | 60.0° | 180.0° |
| O2 | C29 | C12 | H123 | 60.0° | 60.0° |
| O2 | C29 | C43 | H431 | 180.0° | 60.0° |
| O2 | C29 | C43 | H432 | 60.0° | 180.0° |
| O2 | C29 | C43 | H433 | 60.0° | 60.0° |
| O2 | C29 | C45 | H451 | 180.0° | 60.0° |
| O2 | C29 | C45 | H452 | 60.0° | 180.0° |
| O2 | C29 | C45 | H453 | 60.0° | 60.0° |
| C12 | C29 | C43 | C45 | 122.5° | 120.0° |
| C29 | C12 | H121 | H122 | 120.0° | 120.0° |
| C29 | C12 | H121 | H123 | 120.0° | 120.0° |
| C29 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C29 | C43 | H431 | 61.7° | 180.0° |
| C12 | C29 | C43 | H432 | 178.3° | 60.0° |
| C12 | C29 | C43 | H433 | 58.3° | 60.0° |
| C12 | C29 | C45 | H451 | 58.6° | 60.0° |
| C12 | C29 | C45 | H452 | 61.4° | 60.0° |
| C12 | C29 | C45 | H453 | 178.6° | 180.0° |
| C43 | C29 | C12 | H121 | 63.5° | 60.0° |
| C43 | C29 | C12 | H122 | 56.5° | 60.0° |
| C43 | C29 | C12 | H123 | 176.5° | 180.0° |
| C29 | C43 | H431 | H432 | 120.0° | 120.0° |
| C29 | C43 | H431 | H433 | 120.0° | 120.0° |
| C29 | C43 | H432 | H433 | 120.0° | 120.0° |
| C43 | C29 | C45 | H451 | 63.0° | 180.0° |
| C43 | C29 | C45 | H452 | 176.9° | 60.0° |
| C43 | C29 | C45 | H453 | 57.0° | 60.0° |
| C45 | C29 | C12 | H121 | 58.2° | 180.0° |
| C45 | C29 | C12 | H122 | 178.2° | 60.0° |
| C45 | C29 | C12 | H123 | 61.8° | 60.0° |
| C45 | C29 | C43 | H431 | 60.8° | 60.0° |
| C45 | C29 | C43 | H432 | 59.2° | 60.0° |
| C45 | C29 | C43 | H433 | 179.2° | 180.0° |
| C29 | C45 | H451 | H452 | 120.0° | 120.0° |
| C29 | C45 | H451 | H453 | 120.0° | 120.0° |
| C29 | C45 | H452 | H453 | 120.0° | 120.0° |
| O35 | C31 | N33 | C37 | 1.4° | 0.0° |
| O35 | C31 | C23 | H23 | 148.3° | 120.0° |
| O35 | C31 | N33 | H33 | 178.7° | 180.0° |
| C31 | N33 | C37 | H33 | 180.0° | 180.0° |
| C31 | N33 | C37 | C41 | 168.5° | 85.0° |
| C31 | N33 | C37 | C39 | 68.9° | 155.0° |
| N33 | C31 | C23 | H23 | 30.9° | 60.1° |
| C31 | N33 | C37 | H37 | 50.6° | 35.0° |
| N33 | C37 | C41 | C39 | 119.1° | 120.0° |
| N33 | C37 | C41 | H37 | 118.6° | 120.0° |
| N33 | C37 | C39 | H37 | 120.0° | 120.0° |
| N33 | C37 | C41 | C51 | 172.9° | 65.0° |
| N33 | C37 | C39 | O47 | 48.2° | 0.0° |
| N33 | C37 | C39 | N49 | 129.8° | 180.0° |
| N33 | C37 | C41 | H411 | 67.0° | 55.0° |
| N33 | C37 | C41 | H412 | 52.9° | 175.0° |
| C41 | C37 | C39 | H37 | 122.1° | 120.0° |
| C37 | C41 | C51 | H411 | 120.1° | 120.0° |
| C37 | C41 | C51 | H412 | 120.1° | 120.0° |
| C37 | C41 | C51 | C53 | 126.0° | 90.0° |
| C37 | C41 | C51 | C55 | 54.3° | 90.3° |
| C41 | C37 | C39 | O47 | 69.7° | 120.0° |
| C41 | C37 | C39 | N49 | 112.3° | 60.0° |
| C41 | C37 | N33 | H33 | 11.5° | 95.0° |
| C37 | C41 | H411 | H412 | 119.8° | 120.0° |
| C39 | C37 | C41 | C51 | 53.9° | 175.0° |
| C37 | C39 | O47 | N49 | 177.9° | 180.0° |
| C37 | C39 | N49 | C57 | 179.1° | 175.0° |
| C39 | C37 | N33 | H33 | 111.1° | 25.0° |
| C39 | C37 | C41 | H411 | 173.9° | 65.0° |
| C39 | C37 | C41 | H412 | 66.2° | 55.0° |
| C37 | C39 | N49 | H49 | 0.9° | 5.0° |
| C41 | C51 | C53 | C55 | 179.7° | 179.7° |
| C41 | C51 | C53 | C7 | 179.8° | 180.0° |
| C41 | C51 | C55 | C11 | 179.2° | 179.8° |
| C51 | C41 | C37 | H37 | 68.4° | 55.0° |
| C51 | C41 | H411 | H412 | 119.8° | 120.0° |
| C41 | C51 | C53 | H53 | 0.3° | 0.0° |
| C41 | C51 | C55 | H55 | 0.8° | 0.0° |
| C51 | C53 | C7 | H53 | 180.0° | 180.0° |
| C51 | C53 | C7 | C9 | 0.0° | 0.1° |
| C53 | C51 | C55 | C11 | 1.1° | 0.5° |
| C53 | C51 | C41 | H411 | 113.9° | 30.0° |
| C53 | C51 | C41 | H412 | 5.9° | 150.0° |
| C53 | C51 | C55 | H55 | 178.9° | 179.7° |
| C51 | C53 | C7 | H7 | 180.0° | 180.0° |
| C55 | C51 | C53 | C7 | 0.6° | 0.3° |
| C51 | C55 | C11 | C9 | 1.1° | 0.4° |
| C51 | C55 | C11 | H55 | 180.0° | 179.8° |
| C55 | C51 | C41 | H411 | 65.7° | 149.8° |
| C55 | C51 | C41 | H412 | 174.4° | 29.7° |
| C55 | C51 | C53 | H53 | 179.4° | 179.8° |
| C51 | C55 | C11 | H11 | 178.9° | 179.7° |
| C53 | C7 | C9 | H7 | 180.0° | 180.0° |
| C53 | C7 | C9 | C11 | 0.0° | 0.0° |
| C53 | C7 | C9 | H9 | 180.0° | 180.0° |
| C7 | C9 | C11 | H9 | 180.0° | 179.9° |
| C7 | C9 | C11 | C55 | 0.5° | 0.2° |
| C9 | C7 | C53 | H53 | 180.0° | 180.0° |
| C7 | C9 | C11 | H11 | 179.5° | 180.0° |
| C9 | C11 | C55 | H11 | 180.0° | 179.8° |
| C9 | C11 | C55 | H55 | 178.9° | 179.8° |
| C11 | C9 | C7 | H7 | 180.0° | 180.0° |
| C55 | C11 | C9 | H9 | 179.5° | 179.9° |
| O47 | C39 | N49 | C57 | 1.2° | 5.0° |
| O47 | C39 | C37 | H37 | 168.2° | 120.0° |
| O47 | C39 | N49 | H49 | 178.8° | 175.0° |
| C39 | N49 | C57 | H49 | 180.0° | 180.0° |
| C39 | N49 | C57 | C59 | 119.3° | 87.7° |
| C39 | N49 | C57 | C63 | 116.5° | 152.2° |
| N49 | C39 | C37 | H37 | 9.8° | 60.1° |
| C39 | N49 | C57 | H57 | 1.2° | 32.2° |
| N49 | C57 | C59 | C63 | 120.3° | 120.1° |
| N49 | C57 | C59 | H57 | 118.6° | 119.9° |
| N49 | C57 | C63 | H57 | 118.2° | 120.0° |
| N49 | C57 | C59 | C61 | 58.7° | 173.7° |
| N49 | C57 | C63 | C82 | 71.1° | 65.0° |
| N49 | C57 | C59 | H591 | 62.1° | 53.7° |
| N49 | C57 | C59 | H592 | 179.5° | 66.3° |
| N49 | C57 | C63 | H631 | 168.4° | 175.0° |
| N49 | C57 | C63 | H632 | 49.4° | 55.0° |
| C59 | C57 | C63 | H57 | 121.1° | 120.0° |
| C57 | C59 | C61 | H591 | 120.8° | 120.0° |
| C57 | C59 | C61 | H592 | 120.8° | 120.0° |
| C57 | C59 | C61 | C73 | 50.2° | 173.5° |
| C57 | C59 | C61 | C65 | 167.2° | 71.8° |
| C59 | C57 | C63 | C82 | 168.3° | 175.0° |
| C59 | C57 | N49 | H49 | 60.7° | 92.3° |
| C57 | C59 | H591 | H592 | 117.5° | 120.0° |
| C59 | C57 | C63 | H631 | 47.8° | 55.0° |
| C59 | C57 | C63 | H632 | 71.2° | 65.0° |
| C57 | C59 | C61 | H61 | 72.0° | 50.9° |
| C63 | C57 | C59 | C61 | 179.0° | 66.2° |
| C57 | C63 | C82 | H631 | 120.5° | 120.0° |
| C57 | C63 | C82 | H632 | 120.5° | 120.0° |
| C57 | C63 | C82 | C84 | 62.2° | 180.0° |
| C63 | C57 | N49 | H49 | 63.5° | 27.8° |
| C63 | C57 | C59 | H591 | 58.2° | 173.8° |
| C63 | C57 | C59 | H592 | 60.2° | 53.8° |
| C57 | C63 | H631 | H632 | 118.5° | 120.0° |
| C57 | C63 | C82 | H821 | 177.4° | 60.0° |
| C57 | C63 | C82 | H822 | 58.3° | 60.0° |
| C59 | C61 | C73 | C65 | 122.8° | 118.7° |
| C59 | C61 | C73 | H61 | 122.4° | 122.5° |
| C59 | C61 | C65 | H61 | 120.5° | 122.6° |
| C59 | C61 | C73 | C71 | 137.5° | 143.5° |
| C59 | C61 | C65 | N69 | 131.3° | 134.9° |
| C59 | C61 | C65 | O66 | 50.0° | 45.1° |
| C61 | C59 | C57 | H57 | 59.9° | 53.8° |
| C61 | C59 | H591 | H592 | 117.5° | 120.0° |
| C59 | C61 | C73 | H731 | 17.8° | 25.4° |
| C59 | C61 | C73 | H732 | 102.9° | 98.4° |
| C73 | C61 | C65 | H61 | 114.4° | 118.7° |
| C61 | C73 | C71 | H731 | 119.7° | 118.1° |
| C61 | C73 | C71 | H732 | 119.7° | 118.1° |
| C61 | C73 | C71 | N69 | 16.8° | 25.4° |
| C73 | C61 | C65 | N69 | 6.2° | 16.3° |
| C73 | C61 | C65 | O66 | 175.1° | 163.8° |
| C73 | C61 | C59 | H591 | 171.0° | 66.5° |
| C73 | C61 | C59 | H592 | 70.6° | 53.5° |
| C61 | C73 | H731 | H732 | 121.0° | 123.8° |
| C61 | C73 | C71 | H711 | 135.1° | 144.4° |
| C61 | C73 | C71 | H712 | 101.6° | 93.6° |
| C65 | C61 | C73 | C71 | 14.6° | 24.8° |
| C61 | C65 | N69 | C71 | 5.5° | 0.4° |
| C61 | C65 | N69 | O66 | 178.7° | 180.0° |
| C65 | C61 | C59 | H591 | 72.0° | 48.3° |
| C65 | C61 | C59 | H592 | 46.4° | 168.3° |
| C65 | C61 | C73 | H731 | 105.0° | 93.3° |
| C65 | C61 | C73 | H732 | 134.3° | 142.9° |
| C61 | C65 | N69 | H69 | 174.5° | 179.6° |
| C73 | C71 | N69 | H711 | 118.3° | 119.0° |
| C73 | C71 | N69 | H712 | 118.3° | 119.0° |
| C73 | C71 | N69 | C65 | 14.4° | 17.0° |
| C71 | C73 | C61 | H61 | 100.2° | 94.0° |
| C71 | C73 | H731 | H732 | 121.0° | 123.9° |
| C73 | C71 | H711 | H712 | 124.7° | 122.0° |
| C73 | C71 | N69 | H69 | 165.6° | 163.0° |
| C71 | N69 | C65 | H69 | 180.0° | 180.0° |
| C71 | N69 | C65 | O66 | 173.1° | 179.6° |
| N69 | C71 | C73 | H731 | 102.9° | 92.6° |
| N69 | C71 | C73 | H732 | 136.5° | 143.5° |
| N69 | C71 | H711 | H712 | 124.7° | 121.9° |
| N69 | C65 | C61 | H61 | 108.2° | 102.4° |
| C65 | N69 | C71 | H711 | 132.8° | 136.0° |
| C65 | N69 | C71 | H712 | 103.9° | 102.0° |
| O66 | C65 | C61 | H61 | 70.5° | 77.5° |
| O66 | C65 | N69 | H69 | 6.9° | 0.5° |
| C63 | C82 | C84 | H821 | 120.5° | 120.0° |
| C63 | C82 | C84 | H822 | 120.5° | 120.1° |
| C63 | C82 | C84 | O88 | 34.6° | 0.1° |
| C63 | C82 | C84 | O86 | 143.3° | 180.0° |
| C82 | C63 | C57 | H57 | 47.2° | 55.0° |
| C82 | C63 | H631 | H632 | 118.5° | 120.1° |
| C63 | C82 | H821 | H822 | 118.5° | 120.1° |
| C82 | C84 | O88 | O86 | 177.9° | 179.9° |
| C82 | C84 | O86 | C3 | 91.5° | 180.0° |
| C84 | C82 | C63 | H631 | 58.3° | 60.0° |
| C84 | C82 | C63 | H632 | 177.3° | 60.0° |
| C84 | C82 | H821 | H822 | 118.5° | 120.0° |
| O88 | C84 | O86 | C3 | 90.7° | 0.1° |
| O88 | C84 | C82 | H821 | 86.0° | 120.0° |
| O88 | C84 | C82 | H822 | 155.0° | 120.0° |
| C84 | O86 | C3 | C5 | 149.5° | 180.0° |
| O86 | C84 | C82 | H821 | 96.2° | 60.0° |
| O86 | C84 | C82 | H822 | 22.8° | 59.9° |
| C84 | O86 | C3 | H31C | 90.0° | 60.0° |
| C84 | O86 | C3 | H32C | 29.0° | 59.9° |
| O86 | C3 | C5 | H31C | 120.5° | 120.0° |
| O86 | C3 | C5 | H32C | 120.5° | 120.0° |
| O86 | C3 | H31C | H32C | 118.4° | 120.0° |
| O86 | C3 | C5 | H51C | 180.0° | 180.0° |
| O86 | C3 | C5 | H52C | 60.0° | 60.0° |
| O86 | C3 | C5 | H53C | 60.0° | 60.0° |
| C5 | C3 | H31C | H32C | 118.5° | 120.0° |
| C3 | C5 | H51C | H52C | 120.0° | 120.0° |
| C3 | C5 | H51C | H53C | 120.0° | 120.0° |
| C3 | C5 | H52C | H53C | 120.0° | 120.0° |
| H21 | N21 | C23 | H23 | 173.4° | 152.3° |
| H6 | C6 | C8 | H8 | 0.1° | 0.1° |
| H2 | C2 | C1 | H1 | 0.1° | 0.1° |
| H8 | C8 | C10 | H10 | 0.4° | 0.1° |
| H10 | C10 | C1 | H1 | 0.4° | 0.1° |
| H23 | C23 | C25 | H251 | 177.8° | 174.4° |
| H23 | C23 | C25 | H252 | 58.3° | 65.7° |
| H121 | C12 | H122 | H123 | 120.0° | 120.1° |
| H431 | C43 | H432 | H433 | 119.9° | 120.0° |
| H451 | C45 | H452 | H453 | 120.0° | 119.9° |
| H33 | N33 | C37 | H37 | 129.4° | 145.0° |
| H37 | C37 | C41 | H411 | 51.6° | 175.0° |
| H37 | C37 | C41 | H412 | 171.5° | 65.0° |
| H53 | C53 | C7 | H7 | 0.0° | 0.0° |
| H55 | C55 | C11 | H11 | 1.1° | 0.1° |
| H7 | C7 | C9 | H9 | 0.0° | 0.1° |
| H9 | C9 | C11 | H11 | 0.5° | 0.0° |
| H49 | N49 | C57 | H57 | 178.8° | 147.8° |
| H57 | C57 | C59 | H591 | 179.3° | 66.2° |
| H57 | C57 | C59 | H592 | 60.9° | 173.8° |
| H57 | C57 | C63 | H631 | 73.3° | 65.0° |
| H57 | C57 | C63 | H632 | 167.7° | 175.0° |
| H591 | C59 | C61 | H61 | 48.7° | 171.0° |
| H592 | C59 | C61 | H61 | 167.1° | 69.0° |
| H631 | C63 | C82 | H821 | 62.2° | 180.0° |
| H631 | C63 | C82 | H822 | 178.8° | 60.0° |
| H632 | C63 | C82 | H821 | 56.9° | 60.0° |
| H632 | C63 | C82 | H822 | 62.2° | NaN° |
| H61 | C61 | C73 | H731 | 140.2° | 147.9° |
| H61 | C61 | C73 | H732 | 19.5° | 24.1° |
| H731 | C73 | C71 | H711 | 15.4° | 26.3° |
| H731 | C73 | C71 | H712 | 138.8° | 148.4° |
| H732 | C73 | C71 | H711 | 105.2° | 97.5° |
| H732 | C73 | C71 | H712 | 18.1° | 24.5° |
| H711 | C71 | N69 | H69 | 47.2° | 44.0° |
| H712 | C71 | N69 | H69 | 76.1° | 78.0° |
| H31C | C3 | C5 | H51C | 59.5° | 60.0° |
| H31C | C3 | C5 | H52C | 179.5° | 180.0° |
| H31C | C3 | C5 | H53C | 60.5° | 60.1° |
| H32C | C3 | C5 | H51C | 59.5° | 60.0° |
| H32C | C3 | C5 | H52C | 60.5° | 60.0° |
| H32C | C3 | C5 | H53C | 179.5° | 180.0° |
| H51C | C5 | H52C | H53C | 120.0° | 120.1° |
