G85
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | O86 | sing | 1.45Å | 1.45Å | |
| C4 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C13 | sing | 1.51Å | 1.54Å | |
| C6 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C53 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C55 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C29 | sing | 1.53Å | 1.54Å | |
| C13 | O15 | sing | 1.45Å | 1.46Å | |
| O15 | C17 | sing | 1.35Å | 1.47Å | |
| C17 | O19 | doub | 1.21Å | 1.23Å | |
| C17 | N21 | sing | 1.35Å | 1.33Å | |
| N21 | C23 | sing | 1.46Å | 1.47Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | C31 | sing | 1.51Å | 1.51Å | |
| C25 | O27 | sing | 1.43Å | 1.44Å | |
| O27 | C29 | sing | 1.43Å | 1.45Å | |
| C29 | C43 | sing | 1.53Å | 1.54Å | |
| C29 | C45 | sing | 1.53Å | 1.54Å | |
| C31 | N33 | sing | 1.35Å | 1.32Å | |
| C31 | O35 | doub | 1.21Å | 1.22Å | |
| N33 | C37 | sing | 1.46Å | 1.46Å | |
| C37 | C39 | sing | 1.51Å | 1.54Å | |
| C37 | C41 | sing | 1.53Å | 1.54Å | |
| C39 | O47 | doub | 1.21Å | 1.23Å | |
| C39 | N49 | sing | 1.35Å | 1.36Å | |
| C41 | C51 | sing | 1.51Å | 1.52Å | |
| N49 | C57 | sing | 1.47Å | 1.48Å | |
| C51 | C53 | doub | 1.38Å | 1.43Å | Aromatic |
| C51 | C55 | sing | 1.38Å | 1.43Å | Aromatic |
| C57 | C59 | sing | 1.53Å | 1.54Å | |
| C57 | C63 | sing | 1.53Å | 1.54Å | |
| C59 | C61 | sing | 1.53Å | 1.54Å | |
| C61 | C65 | sing | 1.51Å | 1.51Å | |
| C61 | C73 | sing | 1.55Å | 1.54Å | |
| C63 | C82 | sing | 1.53Å | 1.55Å | |
| C65 | O66 | doub | 1.21Å | 1.23Å | |
| C65 | N69 | sing | 1.34Å | 1.27Å | |
| N69 | C71 | sing | 1.47Å | 1.46Å | |
| C71 | C73 | sing | 1.54Å | 1.53Å | |
| C82 | C84 | sing | 1.51Å | 1.53Å | |
| C84 | O86 | sing | 1.34Å | 1.49Å | |
| C84 | O88 | doub | 1.21Å | 1.24Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å | |
| N49 | HN49 | sing | 0.97Å | 1.00Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | sing | 1.09Å | 1.10Å | |
| N69 | HN69 | sing | 0.97Å | 1.00Å | |
| C71 | H71 | sing | 1.09Å | 1.10Å | |
| C71 | H71A | sing | 1.09Å | 1.10Å | |
| C73 | H73 | sing | 1.09Å | 1.10Å | |
| C73 | H73A | sing | 1.09Å | 1.10Å | |
| C82 | H82 | sing | 1.09Å | 1.10Å | |
| C82 | H82A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 117.4° | 120.0° |
| C1 | C2 | C4 | 123.4° | 120.0° |
| C2 | C1 | H1 | 121.3° | 120.0° |
| C1 | C2 | H2 | 118.3° | 120.0° |
| C1 | C10 | C8 | 120.3° | 120.0° |
| C10 | C1 | H1 | 121.3° | 120.0° |
| C1 | C10 | H10 | 119.8° | 120.0° |
| C2 | C4 | C6 | 118.3° | 119.9° |
| C2 | C4 | C13 | 121.3° | 120.0° |
| C4 | C2 | H2 | 118.3° | 120.0° |
| C5 | C3 | O86 | 114.7° | 109.5° |
| C5 | C3 | H3 | 108.1° | 109.5° |
| C5 | C3 | H3A | 108.1° | 109.4° |
| C3 | C5 | H5 | 109.5° | 109.5° |
| C3 | C5 | H5A | 109.5° | 109.5° |
| C3 | C5 | H5B | 109.5° | 109.5° |
| C3 | O86 | C84 | 128.2° | 117.0° |
| O86 | C3 | H3 | 108.2° | 109.5° |
| O86 | C3 | H3A | 108.2° | 109.5° |
| C6 | C4 | C13 | 120.5° | 120.0° |
| C4 | C6 | C8 | 118.4° | 120.0° |
| C4 | C6 | H6 | 120.8° | 120.0° |
| C4 | C13 | O15 | 116.9° | 109.5° |
| C4 | C13 | H13 | 107.6° | 109.5° |
| C4 | C13 | H13A | 107.6° | 109.5° |
| C6 | C8 | C10 | 122.2° | 120.0° |
| C8 | C6 | H6 | 120.8° | 120.0° |
| C6 | C8 | H8 | 118.9° | 120.0° |
| C9 | C7 | C53 | 119.3° | 120.0° |
| C7 | C9 | C11 | 122.4° | 120.0° |
| C9 | C7 | H7 | 120.3° | 120.0° |
| C7 | C9 | H9 | 118.8° | 120.0° |
| C7 | C53 | C51 | 120.3° | 120.0° |
| C53 | C7 | H7 | 120.4° | 120.0° |
| C7 | C53 | H53 | 119.8° | 120.0° |
| C10 | C8 | H8 | 118.9° | 120.0° |
| C8 | C10 | H10 | 119.8° | 120.0° |
| C9 | C11 | C55 | 117.8° | 120.0° |
| C11 | C9 | H9 | 118.8° | 120.0° |
| C9 | C11 | H11 | 121.1° | 120.0° |
| C11 | C55 | C51 | 121.7° | 120.0° |
| C55 | C11 | H11 | 121.1° | 120.0° |
| C11 | C55 | H55 | 119.2° | 120.1° |
| C12 | C29 | O27 | 110.5° | 109.5° |
| C12 | C29 | C43 | 110.8° | 109.5° |
| C12 | C29 | C45 | 111.2° | 109.4° |
| C29 | C12 | H12 | 109.5° | 109.5° |
| C29 | C12 | H12A | 109.5° | 109.5° |
| C29 | C12 | H12B | 109.5° | 109.5° |
| C13 | O15 | C17 | 116.7° | 117.0° |
| O15 | C13 | H13 | 107.6° | 109.5° |
| O15 | C13 | H13A | 107.6° | 109.4° |
| O15 | C17 | O19 | 117.2° | 120.1° |
| O15 | C17 | N21 | 122.8° | 120.0° |
| O19 | C17 | N21 | 120.0° | 119.9° |
| C17 | N21 | C23 | 123.8° | 120.0° |
| C17 | N21 | HN21 | 118.1° | 120.0° |
| N21 | C23 | C25 | 106.6° | 109.5° |
| N21 | C23 | C31 | 113.9° | 109.5° |
| C23 | N21 | HN21 | 118.1° | 120.0° |
| N21 | C23 | H23 | 110.3° | 109.5° |
| C25 | C23 | C31 | 106.6° | 109.5° |
| C23 | C25 | O27 | 109.1° | 109.5° |
| C25 | C23 | H23 | 109.6° | 109.4° |
| C23 | C25 | H25 | 109.6° | 109.5° |
| C23 | C25 | H25A | 109.5° | 109.5° |
| C23 | C31 | N33 | 119.0° | 120.0° |
| C23 | C31 | O35 | 119.7° | 120.0° |
| C31 | C23 | H23 | 109.7° | 109.5° |
| C25 | O27 | C29 | 117.1° | 114.0° |
| O27 | C25 | H25 | 109.5° | 109.5° |
| O27 | C25 | H25A | 109.6° | 109.4° |
| O27 | C29 | C43 | 111.4° | 109.5° |
| O27 | C29 | C45 | 104.1° | 109.5° |
| C43 | C29 | C45 | 108.7° | 109.4° |
| C29 | C43 | H43 | 109.5° | 109.5° |
| C29 | C43 | H43A | 109.5° | 109.5° |
| C29 | C43 | H43B | 109.4° | 109.5° |
| C29 | C45 | H45 | 109.5° | 109.5° |
| C29 | C45 | H45A | 109.5° | 109.5° |
| C29 | C45 | H45B | 109.5° | 109.5° |
| N33 | C31 | O35 | 121.3° | 120.0° |
| C31 | N33 | C37 | 119.3° | 120.0° |
| C31 | N33 | HN33 | 120.3° | 120.0° |
| N33 | C37 | C39 | 111.5° | 109.5° |
| N33 | C37 | C41 | 103.8° | 109.5° |
| C37 | N33 | HN33 | 120.3° | 120.0° |
| N33 | C37 | H37 | 109.6° | 109.5° |
| C39 | C37 | C41 | 114.9° | 109.5° |
| C37 | C39 | O47 | 118.0° | 119.9° |
| C37 | C39 | N49 | 121.3° | 120.0° |
| C39 | C37 | H37 | 108.6° | 109.5° |
| C37 | C41 | C51 | 108.2° | 109.5° |
| C41 | C37 | H37 | 108.4° | 109.4° |
| C37 | C41 | H41 | 109.8° | 109.4° |
| C37 | C41 | H41A | 109.8° | 109.5° |
| O47 | C39 | N49 | 120.7° | 120.0° |
| C39 | N49 | C57 | 121.8° | 120.1° |
| C39 | N49 | HN49 | 119.1° | 120.0° |
| C41 | C51 | C53 | 120.3° | 120.0° |
| C41 | C51 | C55 | 121.1° | 120.0° |
| C51 | C41 | H41 | 109.8° | 109.5° |
| C51 | C41 | H41A | 109.8° | 109.5° |
| N49 | C57 | C59 | 110.0° | 109.4° |
| N49 | C57 | C63 | 109.0° | 109.5° |
| C57 | N49 | HN49 | 119.1° | 119.9° |
| N49 | C57 | H57 | 108.3° | 109.4° |
| C53 | C51 | C55 | 118.6° | 120.0° |
| C51 | C53 | H53 | 119.9° | 120.0° |
| C51 | C55 | H55 | 119.1° | 120.0° |
| C59 | C57 | C63 | 114.2° | 109.5° |
| C57 | C59 | C61 | 111.4° | 109.5° |
| C59 | C57 | H57 | 107.5° | 109.4° |
| C57 | C59 | H59 | 109.0° | 109.5° |
| C57 | C59 | H59A | 109.0° | 109.4° |
| C57 | C63 | C82 | 111.6° | 109.5° |
| C63 | C57 | H57 | 107.6° | 109.5° |
| C57 | C63 | H63 | 108.9° | 109.5° |
| C57 | C63 | H63A | 108.9° | 109.5° |
| C59 | C61 | C65 | 116.9° | 110.5° |
| C59 | C61 | C73 | 113.1° | 110.5° |
| C61 | C59 | H59 | 109.0° | 109.5° |
| C61 | C59 | H59A | 109.0° | 109.5° |
| C59 | C61 | H61 | 107.8° | 110.4° |
| C65 | C61 | C73 | 102.5° | 104.2° |
| C61 | C65 | O66 | 125.8° | 124.9° |
| C61 | C65 | N69 | 108.1° | 110.1° |
| C65 | C61 | H61 | 108.2° | 110.4° |
| C61 | C73 | C71 | 106.8° | 101.8° |
| C73 | C61 | H61 | 107.8° | 110.6° |
| C61 | C73 | H73 | 110.1° | 111.0° |
| C61 | C73 | H73A | 110.1° | 110.9° |
| C63 | C82 | C84 | 111.5° | 109.5° |
| C82 | C63 | H63 | 109.0° | 109.5° |
| C82 | C63 | H63A | 109.0° | 109.4° |
| C63 | C82 | H82 | 109.0° | 109.5° |
| C63 | C82 | H82A | 108.9° | 109.4° |
| O66 | C65 | N69 | 126.1° | 125.0° |
| C65 | N69 | C71 | 118.6° | 111.3° |
| C65 | N69 | HN69 | 120.7° | 124.3° |
| N69 | C71 | C73 | 100.6° | 105.5° |
| C71 | N69 | HN69 | 120.7° | 124.4° |
| N69 | C71 | H71 | 111.6° | 110.2° |
| N69 | C71 | H71A | 111.6° | 110.2° |
| C73 | C71 | H71 | 111.6° | 110.3° |
| C73 | C71 | H71A | 111.6° | 110.2° |
| C71 | C73 | H73 | 110.2° | 111.0° |
| C71 | C73 | H73A | 110.2° | 110.9° |
| C82 | C84 | O86 | 125.6° | 120.0° |
| C82 | C84 | O88 | 115.5° | 120.0° |
| C84 | C82 | H82 | 109.0° | 109.5° |
| C84 | C82 | H82A | 109.0° | 109.5° |
| O86 | C84 | O88 | 118.9° | 120.0° |
| H3 | C3 | H3A | 109.5° | 109.4° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| H5 | C5 | H5B | 109.4° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.4° |
| H12 | C12 | H12A | 109.4° | 109.4° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.4° |
| H43 | C43 | H43B | 109.4° | 109.4° |
| H43A | C43 | H43B | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| H45 | C45 | H45B | 109.5° | 109.5° |
| H45A | C45 | H45B | 109.4° | 109.5° |
| H59 | C59 | H59A | 109.4° | 109.5° |
| H63 | C63 | H63A | 109.5° | 109.4° |
| H71 | C71 | H71A | 109.5° | 110.3° |
| H73 | C73 | H73A | 109.4° | 110.9° |
| H82 | C82 | H82A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | H1 | 180.0° | 179.7° |
| C1 | C2 | C4 | H2 | 180.0° | 179.8° |
| C1 | C2 | C4 | C6 | 0.3° | 0.5° |
| C1 | C2 | C4 | C13 | 180.0° | 180.0° |
| C2 | C1 | C10 | C8 | 0.4° | 0.0° |
| C2 | C1 | C10 | H10 | 179.6° | 180.0° |
| C10 | C1 | C2 | C4 | 0.2° | 0.2° |
| C1 | C10 | C8 | C6 | 0.6° | 0.0° |
| C1 | C10 | C8 | H10 | 180.0° | 180.0° |
| C10 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C10 | C8 | H8 | 179.3° | 180.0° |
| C2 | C4 | C6 | C13 | 179.7° | 179.5° |
| C2 | C4 | C6 | C8 | 0.5° | 0.5° |
| C2 | C4 | C13 | O15 | 79.0° | 89.9° |
| C4 | C2 | C1 | H1 | 179.8° | 179.9° |
| C2 | C4 | C6 | H6 | 179.5° | 179.7° |
| C2 | C4 | C13 | H13 | 42.1° | 150.0° |
| C2 | C4 | C13 | H13A | 159.9° | 30.0° |
| C5 | C3 | O86 | H3 | 120.8° | 120.1° |
| C5 | C3 | O86 | H3A | 120.8° | 120.0° |
| C5 | C3 | O86 | C84 | 87.6° | 180.0° |
| C5 | C3 | H3 | H3A | 117.6° | 119.9° |
| C3 | C5 | H5 | H5A | 120.0° | 120.0° |
| C3 | C5 | H5 | H5B | 120.0° | 120.0° |
| C3 | C5 | H5A | H5B | 120.0° | 120.0° |
| C3 | O86 | C84 | C82 | 31.9° | 180.0° |
| C3 | O86 | C84 | O88 | 150.6° | 0.1° |
| O86 | C3 | H3 | H3A | 117.7° | 120.0° |
| O86 | C3 | C5 | H5 | 180.0° | 60.0° |
| O86 | C3 | C5 | H5A | 60.0° | 60.0° |
| O86 | C3 | C5 | H5B | 60.0° | 180.0° |
| C4 | C6 | C8 | H6 | 180.0° | 179.8° |
| C4 | C6 | C8 | C10 | 0.7° | 0.3° |
| C6 | C4 | C13 | O15 | 101.3° | 90.5° |
| C6 | C4 | C2 | H2 | 179.7° | 179.7° |
| C4 | C6 | C8 | H8 | 179.3° | 179.7° |
| C6 | C4 | C13 | H13 | 137.6° | 29.5° |
| C6 | C4 | C13 | H13A | 19.8° | 149.5° |
| C13 | C4 | C6 | C8 | 179.7° | 180.0° |
| C4 | C13 | O15 | H13 | 121.0° | 120.0° |
| C4 | C13 | O15 | H13A | 121.1° | 120.0° |
| C4 | C13 | O15 | C17 | 141.1° | 180.0° |
| C13 | C4 | C2 | H2 | 0.0° | 0.2° |
| C13 | C4 | C6 | H6 | 0.2° | 0.2° |
| C4 | C13 | H13 | H13A | 116.6° | 120.0° |
| C6 | C8 | C10 | H8 | 180.0° | 180.0° |
| C6 | C8 | C10 | H10 | 179.4° | 180.0° |
| C9 | C7 | C53 | H7 | 180.0° | 179.8° |
| C7 | C9 | C11 | H9 | 180.0° | 179.8° |
| C7 | C9 | C11 | C55 | 0.6° | 0.3° |
| C9 | C7 | C53 | C51 | 1.2° | 0.1° |
| C7 | C9 | C11 | H11 | 179.3° | 179.7° |
| C9 | C7 | C53 | H53 | 178.8° | 180.0° |
| C53 | C7 | C9 | C11 | 0.7° | 0.2° |
| C7 | C53 | C51 | C41 | 179.6° | 179.9° |
| C7 | C53 | C51 | H53 | 180.0° | 179.9° |
| C7 | C53 | C51 | C55 | 0.4° | 0.4° |
| C53 | C7 | C9 | H9 | 179.3° | 180.0° |
| C8 | C10 | C1 | H1 | 179.6° | 179.7° |
| C10 | C8 | C6 | H6 | 179.3° | 180.0° |
| C9 | C11 | C55 | H11 | 180.0° | 180.0° |
| C9 | C11 | C55 | C51 | 1.4° | 0.0° |
| C11 | C9 | C7 | H7 | 179.3° | 180.0° |
| C9 | C11 | C55 | H55 | 178.5° | 180.0° |
| C11 | C55 | C51 | C41 | 178.3° | 180.0° |
| C11 | C55 | C51 | C53 | 0.9° | 0.3° |
| C11 | C55 | C51 | H55 | 180.0° | 180.0° |
| C55 | C11 | C9 | H9 | 179.4° | 179.9° |
| C12 | C29 | O27 | C25 | 70.4° | 60.0° |
| C12 | C29 | O27 | C43 | 123.6° | 120.0° |
| C12 | C29 | O27 | C45 | 119.4° | 120.0° |
| C12 | C29 | C43 | C45 | 122.5° | 120.0° |
| C29 | C12 | H12 | H12A | 120.0° | 120.0° |
| C29 | C12 | H12 | H12B | 120.0° | 120.0° |
| C29 | C12 | H12A | H12B | 120.0° | 120.0° |
| C12 | C29 | C43 | H43 | 180.0° | 60.0° |
| C12 | C29 | C43 | H43A | 60.0° | 180.0° |
| C12 | C29 | C43 | H43B | 60.0° | 59.9° |
| C12 | C29 | C45 | H45 | 180.0° | 60.0° |
| C12 | C29 | C45 | H45A | 60.0° | 180.0° |
| C12 | C29 | C45 | H45B | 60.0° | 60.0° |
| C13 | O15 | C17 | O19 | 25.1° | 0.0° |
| C13 | O15 | C17 | N21 | 154.3° | 180.0° |
| O15 | C13 | H13 | H13A | 116.7° | 120.0° |
| O15 | C17 | O19 | N21 | 179.4° | 179.9° |
| O15 | C17 | N21 | C23 | 178.9° | 180.0° |
| C17 | O15 | C13 | H13 | 97.8° | 60.0° |
| C17 | O15 | C13 | H13A | 20.0° | 60.0° |
| O15 | C17 | N21 | HN21 | 1.1° | 0.1° |
| O19 | C17 | N21 | C23 | 1.6° | 0.0° |
| O19 | C17 | N21 | HN21 | 178.3° | 180.0° |
| C17 | N21 | C23 | HN21 | 180.0° | 179.9° |
| C17 | N21 | C23 | C25 | 124.5° | 85.0° |
| C17 | N21 | C23 | C31 | 118.2° | 154.9° |
| C17 | N21 | C23 | H23 | 5.6° | 34.9° |
| N21 | C23 | C25 | C31 | 122.0° | 120.0° |
| N21 | C23 | C25 | H23 | 119.3° | 120.0° |
| N21 | C23 | C31 | H23 | 124.1° | 120.0° |
| N21 | C23 | C25 | O27 | 90.0° | 65.0° |
| N21 | C23 | C31 | N33 | 144.7° | 180.0° |
| N21 | C23 | C31 | O35 | 34.8° | 0.0° |
| N21 | C23 | C25 | H25 | 30.0° | 175.0° |
| N21 | C23 | C25 | H25A | 150.1° | 54.9° |
| C25 | C23 | C31 | H23 | 118.6° | 119.9° |
| C23 | C25 | O27 | H25 | 120.0° | 120.0° |
| C23 | C25 | O27 | H25A | 119.9° | 120.0° |
| C23 | C25 | O27 | C29 | 155.6° | 180.0° |
| C25 | C23 | C31 | N33 | 98.1° | 60.0° |
| C25 | C23 | C31 | O35 | 82.4° | 120.0° |
| C25 | C23 | N21 | HN21 | 55.5° | 95.1° |
| C23 | C25 | H25 | H25A | 120.2° | 120.0° |
| C31 | C23 | C25 | O27 | 148.1° | 55.0° |
| C23 | C31 | N33 | O35 | 179.5° | 180.0° |
| C23 | C31 | N33 | C37 | 179.6° | 180.0° |
| C31 | C23 | N21 | HN21 | 61.8° | 25.0° |
| C31 | C23 | C25 | H25 | 92.0° | 65.0° |
| C31 | C23 | C25 | H25A | 28.2° | 175.0° |
| C23 | C31 | N33 | HN33 | 0.4° | 0.0° |
| C25 | O27 | C29 | C43 | 53.2° | 179.9° |
| C25 | O27 | C29 | C45 | 170.1° | 60.0° |
| O27 | C25 | C23 | H23 | 29.3° | 175.0° |
| O27 | C25 | H25 | H25A | 120.2° | 120.0° |
| O27 | C29 | C43 | C45 | 114.1° | 120.0° |
| O27 | C29 | C12 | H12 | 180.0° | 179.9° |
| O27 | C29 | C12 | H12A | 60.0° | 60.0° |
| O27 | C29 | C12 | H12B | 60.0° | 60.0° |
| C29 | O27 | C25 | H25 | 35.7° | 60.0° |
| C29 | O27 | C25 | H25A | 84.4° | 60.0° |
| O27 | C29 | C43 | H43 | 56.6° | 60.0° |
| O27 | C29 | C43 | H43A | 63.4° | 60.0° |
| O27 | C29 | C43 | H43B | 176.6° | 180.0° |
| O27 | C29 | C45 | H45 | 61.1° | 180.0° |
| O27 | C29 | C45 | H45A | 178.9° | 60.0° |
| O27 | C29 | C45 | H45B | 58.9° | 60.0° |
| C43 | C29 | C12 | H12 | 56.0° | 60.0° |
| C43 | C29 | C12 | H12A | 63.9° | 180.0° |
| C43 | C29 | C12 | H12B | 176.0° | 60.1° |
| C29 | C43 | H43 | H43A | 120.0° | 120.0° |
| C29 | C43 | H43 | H43B | 120.0° | 120.0° |
| C29 | C43 | H43A | H43B | 120.0° | 120.1° |
| C43 | C29 | C45 | H45 | 57.7° | 60.0° |
| C43 | C29 | C45 | H45A | 62.3° | 60.0° |
| C43 | C29 | C45 | H45B | 177.8° | 180.0° |
| C45 | C29 | C12 | H12 | 65.0° | 59.9° |
| C45 | C29 | C12 | H12A | 175.0° | 60.0° |
| C45 | C29 | C12 | H12B | 55.0° | 180.0° |
| C45 | C29 | C43 | H43 | 57.5° | 180.0° |
| C45 | C29 | C43 | H43A | 177.5° | 60.0° |
| C45 | C29 | C43 | H43B | 62.5° | 60.0° |
| C29 | C45 | H45 | H45A | 120.0° | 120.0° |
| C29 | C45 | H45 | H45B | 120.0° | 120.0° |
| C29 | C45 | H45A | H45B | 120.0° | 120.0° |
| C31 | N33 | C37 | HN33 | 180.0° | 180.0° |
| C31 | N33 | C37 | C39 | 69.5° | 155.0° |
| C31 | N33 | C37 | C41 | 166.3° | 85.0° |
| N33 | C31 | C23 | H23 | 20.5° | 60.0° |
| C31 | N33 | C37 | H37 | 50.7° | 35.0° |
| O35 | C31 | N33 | C37 | 0.1° | 0.0° |
| O35 | C31 | C23 | H23 | 158.9° | 120.0° |
| O35 | C31 | N33 | HN33 | 179.8° | 180.0° |
| N33 | C37 | C39 | C41 | 117.7° | 120.0° |
| N33 | C37 | C39 | H37 | 120.8° | 120.0° |
| N33 | C37 | C41 | H37 | 116.5° | 120.0° |
| N33 | C37 | C39 | O47 | 46.6° | 0.0° |
| N33 | C37 | C39 | N49 | 131.4° | 180.0° |
| N33 | C37 | C41 | C51 | 172.9° | 65.0° |
| N33 | C37 | C41 | H41 | 67.3° | 55.0° |
| N33 | C37 | C41 | H41A | 53.1° | 175.0° |
| C39 | C37 | C41 | H37 | 121.6° | 120.0° |
| C37 | C39 | O47 | N49 | 178.0° | 180.0° |
| C39 | C37 | C41 | C51 | 51.0° | 175.0° |
| C37 | C39 | N49 | C57 | 179.5° | 174.8° |
| C39 | C37 | N33 | HN33 | 110.5° | 25.0° |
| C39 | C37 | C41 | H41 | 170.8° | 65.0° |
| C39 | C37 | C41 | H41A | 68.8° | 54.9° |
| C37 | C39 | N49 | HN49 | 0.5° | 5.2° |
| C41 | C37 | C39 | O47 | 71.1° | 120.0° |
| C41 | C37 | C39 | N49 | 111.0° | 60.0° |
| C37 | C41 | C51 | H41 | 119.8° | 119.9° |
| C37 | C41 | C51 | H41A | 119.8° | 120.0° |
| C37 | C41 | C51 | C53 | 117.6° | 90.0° |
| C37 | C41 | C51 | C55 | 61.6° | 90.3° |
| C41 | C37 | N33 | HN33 | 13.7° | 95.0° |
| C37 | C41 | H41 | H41A | 120.6° | 120.0° |
| O47 | C39 | N49 | C57 | 1.5° | 5.2° |
| O47 | C39 | C37 | H37 | 167.4° | 120.0° |
| O47 | C39 | N49 | HN49 | 178.5° | 174.8° |
| C39 | N49 | C57 | HN49 | 180.0° | 180.0° |
| C39 | N49 | C57 | C59 | 118.7° | 88.2° |
| C39 | N49 | C57 | C63 | 115.4° | 151.8° |
| N49 | C39 | C37 | H37 | 10.6° | 60.0° |
| C39 | N49 | C57 | H57 | 1.4° | 31.7° |
| C41 | C51 | C53 | C55 | 179.2° | 179.7° |
| C51 | C41 | C37 | H37 | 70.6° | 55.0° |
| C51 | C41 | H41 | H41A | 120.6° | 120.1° |
| C41 | C51 | C53 | H53 | 0.4° | 0.0° |
| C41 | C51 | C55 | H55 | 1.8° | 0.0° |
| N49 | C57 | C59 | C63 | 122.9° | 120.1° |
| N49 | C57 | C59 | H57 | 117.8° | 119.9° |
| N49 | C57 | C63 | H57 | 117.3° | 120.0° |
| N49 | C57 | C59 | C61 | 55.3° | 174.6° |
| N49 | C57 | C63 | C82 | 71.9° | 65.0° |
| N49 | C57 | C59 | H59 | 65.1° | 54.6° |
| N49 | C57 | C59 | H59A | 175.5° | 65.4° |
| N49 | C57 | C63 | H63 | 167.7° | 175.0° |
| N49 | C57 | C63 | H63A | 48.4° | 55.0° |
| C51 | C53 | C7 | H7 | 178.8° | 179.7° |
| C53 | C51 | C41 | H41 | 122.7° | 29.9° |
| C53 | C51 | C41 | H41A | 2.3° | 150.0° |
| C53 | C51 | C55 | H55 | 179.1° | 179.7° |
| C51 | C55 | C11 | H11 | 178.5° | 180.0° |
| C55 | C51 | C41 | H41 | 58.2° | 149.8° |
| C55 | C51 | C41 | H41A | 178.6° | 29.7° |
| C55 | C51 | C53 | H53 | 179.6° | 179.8° |
| C59 | C57 | C63 | H57 | 119.3° | 120.0° |
| C57 | C59 | C61 | H59 | 120.3° | 120.0° |
| C57 | C59 | C61 | H59A | 120.3° | 120.0° |
| C57 | C59 | C61 | C65 | 178.1° | 66.0° |
| C57 | C59 | C61 | C73 | 59.4° | 179.2° |
| C59 | C57 | C63 | C82 | 164.6° | 175.0° |
| C59 | C57 | N49 | HN49 | 61.3° | 91.9° |
| C57 | C59 | H59 | H59A | 119.1° | 120.0° |
| C57 | C59 | C61 | H61 | 59.8° | 56.5° |
| C59 | C57 | C63 | H63 | 44.3° | 55.0° |
| C59 | C57 | C63 | H63A | 75.1° | 65.0° |
| C63 | C57 | C59 | C61 | 178.1° | 65.3° |
| C57 | C63 | C82 | H63 | 120.3° | 120.1° |
| C57 | C63 | C82 | H63A | 120.3° | 120.0° |
| C57 | C63 | C82 | C84 | 71.1° | 180.0° |
| C63 | C57 | N49 | HN49 | 64.6° | 28.2° |
| C63 | C57 | C59 | H59 | 57.8° | 174.7° |
| C63 | C57 | C59 | H59A | 61.6° | 54.7° |
| C57 | C63 | H63 | H63A | 119.0° | 120.0° |
| C57 | C63 | C82 | H82 | 168.6° | 60.0° |
| C57 | C63 | C82 | H82A | 49.2° | 60.0° |
| C59 | C61 | C65 | C73 | 124.3° | 118.7° |
| C59 | C61 | C65 | H61 | 121.9° | 122.5° |
| C59 | C61 | C73 | H61 | 119.2° | 122.6° |
| C59 | C61 | C65 | O66 | 37.2° | 77.5° |
| C59 | C61 | C65 | N69 | 142.6° | 102.4° |
| C59 | C61 | C73 | C71 | 143.3° | 93.9° |
| C61 | C59 | C57 | H57 | 62.5° | 54.8° |
| C61 | C59 | H59 | H59A | 119.1° | 120.0° |
| C59 | C61 | C73 | H73 | 23.7° | 24.3° |
| C59 | C61 | C73 | H73A | 97.1° | 148.0° |
| C65 | C61 | C73 | H61 | 114.1° | 118.7° |
| C61 | C65 | O66 | N69 | 179.7° | 179.9° |
| C61 | C65 | N69 | C71 | 13.8° | 0.4° |
| C65 | C61 | C73 | C71 | 16.6° | 24.8° |
| C65 | C61 | C59 | H59 | 61.6° | 54.1° |
| C65 | C61 | C59 | H59A | 57.8° | 174.1° |
| C61 | C65 | N69 | HN69 | 166.2° | 179.6° |
| C65 | C61 | C73 | H73 | 103.1° | 143.0° |
| C65 | C61 | C73 | H73A | 136.2° | 93.3° |
| C73 | C61 | C65 | O66 | 161.5° | 163.8° |
| C73 | C61 | C65 | N69 | 18.3° | 16.3° |
| C61 | C73 | C71 | N69 | 9.6° | 25.4° |
| C61 | C73 | C71 | H73 | 119.6° | 118.1° |
| C61 | C73 | C71 | H73A | 119.6° | 118.1° |
| C73 | C61 | C59 | H59 | 179.7° | 60.7° |
| C73 | C61 | C59 | H59A | 60.9° | 59.3° |
| C61 | C73 | C71 | H71 | 109.0° | 144.4° |
| C61 | C73 | C71 | H71A | 128.1° | 93.6° |
| C61 | C73 | H73 | H73A | 121.2° | 123.8° |
| C63 | C82 | C84 | H82 | 120.3° | 120.0° |
| C63 | C82 | C84 | H82A | 120.3° | 120.0° |
| C63 | C82 | C84 | O86 | 140.6° | 180.0° |
| C63 | C82 | C84 | O88 | 37.0° | 0.1° |
| C82 | C63 | C57 | H57 | 45.3° | 55.0° |
| C82 | C63 | H63 | H63A | 119.1° | 120.0° |
| C63 | C82 | H82 | H82A | 119.0° | 120.0° |
| O66 | C65 | N69 | C71 | 166.0° | 179.6° |
| O66 | C65 | C61 | H61 | 84.7° | 45.0° |
| O66 | C65 | N69 | HN69 | 14.0° | 0.5° |
| C65 | N69 | C71 | HN69 | 180.0° | 180.0° |
| C65 | N69 | C71 | C73 | 2.5° | 17.0° |
| N69 | C65 | C61 | H61 | 95.5° | 135.1° |
| C65 | N69 | C71 | H71 | 121.1° | 136.0° |
| C65 | N69 | C71 | H71A | 116.0° | 102.0° |
| N69 | C71 | C73 | H71 | 118.5° | 119.0° |
| N69 | C71 | C73 | H71A | 118.5° | 119.0° |
| N69 | C71 | H71 | H71A | 124.1° | 122.0° |
| N69 | C71 | C73 | H73 | 110.0° | 143.5° |
| N69 | C71 | C73 | H73A | 129.2° | 92.7° |
| C71 | C73 | C61 | H61 | 97.5° | 143.5° |
| C73 | C71 | N69 | HN69 | 177.5° | 163.0° |
| C73 | C71 | H71 | H71A | 124.1° | 122.0° |
| C71 | C73 | H73 | H73A | 121.2° | 123.8° |
| C82 | C84 | O86 | O88 | 177.5° | 179.9° |
| C84 | C82 | C63 | H63 | 49.2° | 59.9° |
| C84 | C82 | C63 | H63A | 168.6° | 60.0° |
| C84 | C82 | H82 | H82A | 119.1° | 120.0° |
| C84 | O86 | C3 | H3 | 151.7° | 59.9° |
| C84 | O86 | C3 | H3A | 33.2° | 60.1° |
| O86 | C84 | C82 | H82 | 99.1° | 60.0° |
| O86 | C84 | C82 | H82A | 20.3° | 60.1° |
| O88 | C84 | C82 | H82 | 83.3° | 119.9° |
| O88 | C84 | C82 | H82A | 157.3° | 120.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.2° |
| H1 | C1 | C10 | H10 | 0.4° | 0.3° |
| H3 | C3 | C5 | H5 | 59.2° | 179.9° |
| H3 | C3 | C5 | H5A | 60.8° | 60.1° |
| H3 | C3 | C5 | H5B | 179.2° | 59.9° |
| H3A | C3 | C5 | H5 | 59.2° | 60.0° |
| H3A | C3 | C5 | H5A | 179.2° | 180.0° |
| H3A | C3 | C5 | H5B | 60.8° | 60.0° |
| H5 | C5 | H5A | H5B | 120.0° | 119.9° |
| H6 | C6 | C8 | H8 | 0.7° | 0.0° |
| H7 | C7 | C9 | H9 | 0.7° | 0.2° |
| H7 | C7 | C53 | H53 | 1.2° | 0.2° |
| H8 | C8 | C10 | H10 | 0.6° | 0.0° |
| H9 | C9 | C11 | H11 | 0.7° | 0.1° |
| H11 | C11 | C55 | H55 | 1.5° | 0.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| HN21 | N21 | C23 | H23 | 174.4° | 145.0° |
| H23 | C23 | C25 | H25 | 149.3° | 55.0° |
| H23 | C23 | C25 | H25A | 90.6° | 65.1° |
| HN33 | N33 | C37 | H37 | 129.3° | 145.0° |
| H37 | C37 | C41 | H41 | 49.2° | 175.0° |
| H37 | C37 | C41 | H41A | 169.6° | 65.0° |
| H43 | C43 | H43A | H43B | 120.0° | 120.0° |
| H45 | C45 | H45A | H45B | 120.0° | 120.0° |
| HN49 | N49 | C57 | H57 | 178.6° | 148.2° |
| H57 | C57 | C59 | H59 | 177.2° | 65.3° |
| H57 | C57 | C59 | H59A | 57.8° | 174.7° |
| H57 | C57 | C63 | H63 | 75.0° | 65.0° |
| H57 | C57 | C63 | H63A | 165.6° | 175.0° |
| H59 | C59 | C61 | H61 | 60.5° | 176.5° |
| H59A | C59 | C61 | H61 | 179.9° | 63.4° |
| H61 | C61 | C73 | H73 | 142.9° | 98.3° |
| H61 | C61 | C73 | H73A | 22.1° | 25.4° |
| H63 | C63 | C82 | H82 | 71.1° | 180.0° |
| H63 | C63 | C82 | H82A | 169.5° | 60.0° |
| H63A | C63 | C82 | H82 | 48.3° | 60.0° |
| H63A | C63 | C82 | H82A | 71.1° | 180.0° |
| HN69 | N69 | C71 | H71 | 58.9° | 44.0° |
| HN69 | N69 | C71 | H71A | 64.0° | 78.0° |
| H71 | C71 | C73 | H73 | 131.4° | 97.5° |
| H71 | C71 | C73 | H73A | 10.6° | 26.3° |
| H71A | C71 | C73 | H73 | 8.5° | 24.5° |
| H71A | C71 | C73 | H73A | 112.3° | 148.3° |
