G86
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C13 | sing | 1.53Å | 1.53Å | |
| C2 | C13 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | O86 | sing | 1.45Å | 1.44Å | |
| C4 | C13 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C53 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C29 | sing | 1.53Å | 1.54Å | |
| C13 | O15 | sing | 1.45Å | 1.44Å | |
| C14 | C25 | sing | 1.53Å | 1.53Å | |
| O15 | C17 | sing | 1.35Å | 1.46Å | |
| C17 | O19 | doub | 1.21Å | 1.24Å | |
| C17 | N21 | sing | 1.35Å | 1.35Å | |
| N21 | C23 | sing | 1.47Å | 1.47Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | C31 | sing | 1.51Å | 1.50Å | |
| C25 | O27 | sing | 1.43Å | 1.44Å | |
| O27 | C29 | sing | 1.43Å | 1.46Å | |
| C29 | C43 | sing | 1.53Å | 1.53Å | |
| C29 | C45 | sing | 1.53Å | 1.53Å | |
| 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 | 1.53Å | |
| C37 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | O47 | doub | 1.21Å | 1.23Å | |
| C39 | N49 | sing | 1.35Å | 1.34Å | |
| C41 | C51 | sing | 1.51Å | 1.52Å | |
| N49 | C57 | sing | 1.46Å | 1.47Å | |
| C51 | C53 | doub | 1.38Å | 1.41Å | Aromatic |
| C51 | C55 | sing | 1.38Å | 1.42Å | Aromatic |
| C57 | C59 | sing | 1.53Å | 1.54Å | |
| C57 | C63 | sing | 1.53Å | 1.53Å | |
| C59 | C61 | sing | 1.53Å | 1.56Å | |
| C61 | C65 | sing | 1.51Å | 1.52Å | |
| C61 | C73 | sing | 1.55Å | 1.54Å | |
| C63 | C82 | sing | 1.53Å | 1.53Å | |
| C65 | O66 | doub | 1.21Å | 1.23Å | |
| C65 | N69 | sing | 1.34Å | 1.27Å | |
| N69 | C71 | sing | 1.47Å | 1.47Å | |
| C71 | C73 | sing | 1.55Å | 1.54Å | |
| C82 | C84 | sing | 1.51Å | 1.52Å | |
| C84 | O86 | sing | 1.34Å | 1.46Å | |
| C84 | O88 | doub | 1.21Å | 1.24Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | 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 | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | 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 | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | 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 | |
| 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) |
| C1 | C13 | C2 | 110.1° | 109.5° |
| C1 | C13 | C4 | 108.6° | 109.5° |
| C1 | C13 | O15 | 109.5° | 109.5° |
| C13 | C1 | H1 | 109.5° | 109.5° |
| C13 | C1 | H1A | 109.5° | 109.5° |
| C13 | C1 | H1B | 109.4° | 109.5° |
| C2 | C13 | C4 | 110.1° | 109.5° |
| C2 | C13 | O15 | 107.6° | 109.5° |
| C13 | C2 | H2 | 109.5° | 109.5° |
| C13 | C2 | H2A | 109.4° | 109.5° |
| C13 | C2 | H2B | 109.5° | 109.4° |
| C5 | C3 | O86 | 109.6° | 109.5° |
| C5 | C3 | H3 | 109.4° | 109.5° |
| C5 | C3 | H3A | 109.4° | 109.5° |
| C3 | C5 | H5 | 109.5° | 109.5° |
| C3 | C5 | H5A | 109.5° | 109.5° |
| C3 | C5 | H5B | 109.5° | 109.5° |
| C3 | O86 | C84 | 125.7° | 117.0° |
| O86 | C3 | H3 | 109.4° | 109.4° |
| O86 | C3 | H3A | 109.4° | 109.4° |
| C4 | C13 | O15 | 111.1° | 109.5° |
| C13 | C4 | H4 | 109.5° | 109.5° |
| C13 | C4 | H4A | 109.5° | 109.5° |
| C13 | C4 | H4B | 109.5° | 109.5° |
| C9 | C7 | C53 | 120.2° | 120.0° |
| C7 | C9 | C11 | 121.0° | 120.0° |
| C9 | C7 | H7 | 119.9° | 120.0° |
| C7 | C9 | H9 | 119.5° | 119.9° |
| C7 | C53 | C51 | 119.3° | 120.0° |
| C53 | C7 | H7 | 119.9° | 120.0° |
| C7 | C53 | H53 | 120.3° | 120.0° |
| C9 | C11 | C55 | 118.5° | 120.0° |
| C11 | C9 | H9 | 119.5° | 120.1° |
| C9 | C11 | H11 | 120.8° | 119.9° |
| C11 | C55 | C51 | 121.3° | 120.0° |
| C55 | C11 | H11 | 120.7° | 120.0° |
| C11 | C55 | H55 | 119.4° | 120.0° |
| C12 | C29 | O27 | 111.2° | 109.5° |
| C12 | C29 | C43 | 108.6° | 109.5° |
| C12 | C29 | C45 | 110.5° | 109.5° |
| C29 | C12 | H12 | 109.5° | 109.5° |
| C29 | C12 | H12A | 109.5° | 109.5° |
| C29 | C12 | H12B | 109.5° | 109.5° |
| C13 | O15 | C17 | 126.3° | 117.0° |
| C14 | C25 | C23 | 112.8° | 109.4° |
| C14 | C25 | O27 | 108.3° | 109.5° |
| C25 | C14 | H14 | 109.5° | 109.5° |
| C25 | C14 | H14A | 109.5° | 109.4° |
| C25 | C14 | H14B | 109.5° | 109.5° |
| C14 | C25 | H25 | 107.1° | 109.5° |
| O15 | C17 | O19 | 118.3° | 120.0° |
| O15 | C17 | N21 | 117.5° | 120.0° |
| O19 | C17 | N21 | 124.1° | 120.0° |
| C17 | N21 | C23 | 123.5° | 120.0° |
| C17 | N21 | HN21 | 118.2° | 120.1° |
| N21 | C23 | C25 | 105.3° | 109.4° |
| N21 | C23 | C31 | 110.4° | 109.5° |
| C23 | N21 | HN21 | 118.3° | 120.0° |
| N21 | C23 | H23 | 113.1° | 109.4° |
| C25 | C23 | C31 | 113.5° | 109.5° |
| C23 | C25 | O27 | 106.6° | 109.4° |
| C25 | C23 | H23 | 110.0° | 109.5° |
| C23 | C25 | H25 | 108.8° | 109.5° |
| C23 | C31 | N33 | 117.6° | 120.0° |
| C23 | C31 | O35 | 119.6° | 120.0° |
| C31 | C23 | H23 | 104.9° | 109.5° |
| C25 | O27 | C29 | 124.1° | 114.0° |
| O27 | C25 | H25 | 113.3° | 109.5° |
| O27 | C29 | C43 | 106.6° | 109.5° |
| O27 | C29 | C45 | 112.5° | 109.5° |
| C43 | C29 | C45 | 107.3° | 109.5° |
| C29 | C43 | H43 | 109.5° | 109.5° |
| C29 | C43 | H43A | 109.5° | 109.4° |
| C29 | C43 | H43B | 109.5° | 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 | 122.7° | 120.1° |
| C31 | N33 | C37 | 122.0° | 120.0° |
| C31 | N33 | HN33 | 119.0° | 120.0° |
| N33 | C37 | C39 | 108.2° | 109.5° |
| N33 | C37 | C41 | 106.1° | 109.5° |
| C37 | N33 | HN33 | 119.0° | 120.0° |
| N33 | C37 | H37 | 114.0° | 109.5° |
| C39 | C37 | C41 | 113.7° | 109.5° |
| C37 | C39 | O47 | 119.0° | 120.0° |
| C37 | C39 | N49 | 118.3° | 120.0° |
| C39 | C37 | H37 | 106.4° | 109.5° |
| C37 | C41 | C51 | 110.2° | 109.5° |
| C41 | C37 | H37 | 108.5° | 109.4° |
| C37 | C41 | H41 | 109.2° | 109.4° |
| C37 | C41 | H41A | 109.2° | 109.5° |
| O47 | C39 | N49 | 122.7° | 120.0° |
| C39 | N49 | C57 | 122.5° | 120.1° |
| C39 | N49 | HN49 | 118.7° | 120.0° |
| C41 | C51 | C53 | 120.0° | 120.0° |
| C41 | C51 | C55 | 120.4° | 120.0° |
| C51 | C41 | H41 | 109.2° | 109.4° |
| C51 | C41 | H41A | 109.2° | 109.5° |
| N49 | C57 | C59 | 106.6° | 109.5° |
| N49 | C57 | C63 | 107.5° | 109.5° |
| C57 | N49 | HN49 | 118.7° | 120.0° |
| N49 | C57 | H57 | 114.0° | 109.4° |
| C53 | C51 | C55 | 119.6° | 120.0° |
| C51 | C53 | H53 | 120.3° | 120.0° |
| C51 | C55 | H55 | 119.4° | 120.0° |
| C59 | C57 | C63 | 113.5° | 109.5° |
| C57 | C59 | C61 | 114.2° | 109.5° |
| C59 | C57 | H57 | 108.1° | 109.4° |
| C57 | C59 | H59 | 107.9° | 109.5° |
| C57 | C59 | H59A | 107.9° | 109.5° |
| C57 | C63 | C82 | 111.4° | 109.5° |
| C63 | C57 | H57 | 107.2° | 109.5° |
| C57 | C63 | H63 | 108.8° | 109.4° |
| C57 | C63 | H63A | 108.8° | 109.4° |
| C59 | C61 | C65 | 113.9° | 110.5° |
| C59 | C61 | C73 | 116.8° | 110.5° |
| C61 | C59 | H59 | 107.9° | 109.5° |
| C61 | C59 | H59A | 107.9° | 109.4° |
| C59 | C61 | H61 | 98.9° | 110.4° |
| C65 | C61 | C73 | 102.1° | 104.2° |
| C61 | C65 | O66 | 124.8° | 124.9° |
| C61 | C65 | N69 | 109.2° | 110.1° |
| C65 | C61 | H61 | 114.4° | 110.5° |
| C61 | C73 | C71 | 105.4° | 101.7° |
| C73 | C61 | H61 | 111.4° | 110.6° |
| C61 | C73 | H73 | 110.8° | 111.0° |
| C61 | C73 | H73A | 110.8° | 110.9° |
| C63 | C82 | C84 | 114.8° | 109.5° |
| C82 | C63 | H63 | 108.8° | 109.5° |
| C82 | C63 | H63A | 108.8° | 109.5° |
| C63 | C82 | H82 | 107.7° | 109.4° |
| C63 | C82 | H82A | 107.7° | 109.4° |
| O66 | C65 | N69 | 126.0° | 124.9° |
| C65 | N69 | C71 | 117.9° | 111.3° |
| C65 | N69 | HN69 | 121.1° | 124.4° |
| N69 | C71 | C73 | 99.1° | 105.5° |
| C71 | N69 | HN69 | 121.1° | 124.3° |
| N69 | C71 | H71 | 113.1° | 110.2° |
| N69 | C71 | H71A | 113.1° | 110.2° |
| C73 | C71 | H71 | 113.1° | 110.3° |
| C73 | C71 | H71A | 113.1° | 110.2° |
| C71 | C73 | H73 | 110.8° | 111.0° |
| C71 | C73 | H73A | 110.8° | 111.0° |
| C82 | C84 | O86 | 119.7° | 120.0° |
| C82 | C84 | O88 | 122.2° | 120.0° |
| C84 | C82 | H82 | 107.7° | 109.5° |
| C84 | C82 | H82A | 107.7° | 109.5° |
| O86 | C84 | O88 | 118.1° | 120.0° |
| H1 | C1 | H1A | 109.4° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H2 | C2 | H2B | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.4° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| H5 | C5 | H5B | 109.5° | 109.5° |
| H5A | C5 | H5B | 109.4° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.4° | 109.4° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| H41 | C41 | H41A | 109.7° | 109.5° |
| H43 | C43 | H43A | 109.4° | 109.5° |
| H43 | C43 | H43B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.4° |
| H45 | C45 | H45B | 109.4° | 109.5° |
| H45A | C45 | H45B | 109.5° | 109.5° |
| H59 | C59 | H59A | 111.0° | 109.4° |
| H63 | C63 | H63A | 110.1° | 109.5° |
| H71 | C71 | H71A | 105.7° | 110.3° |
| H73 | C73 | H73A | 108.1° | 110.9° |
| H82 | C82 | H82A | 111.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C13 | C2 | C4 | 119.6° | 120.0° |
| C1 | C13 | C2 | O15 | 119.2° | 120.0° |
| C1 | C13 | C4 | O15 | 120.5° | 120.0° |
| C1 | C13 | O15 | C17 | 166.7° | 59.1° |
| C13 | C1 | H1 | H1A | 120.0° | 120.0° |
| C13 | C1 | H1 | H1B | 120.0° | 120.1° |
| C13 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C13 | C2 | H2 | 180.0° | 59.1° |
| C1 | C13 | C2 | H2A | 60.0° | 179.1° |
| C1 | C13 | C2 | H2B | 60.0° | 60.9° |
| C1 | C13 | C4 | H4 | 180.0° | 60.0° |
| C1 | C13 | C4 | H4A | 60.0° | 180.0° |
| C1 | C13 | C4 | H4B | 60.0° | 60.0° |
| C2 | C13 | C4 | O15 | 119.0° | 120.0° |
| C2 | C13 | O15 | C17 | 73.7° | 60.9° |
| C2 | C13 | C1 | H1 | 180.0° | 60.0° |
| C2 | C13 | C1 | H1A | 60.0° | 180.0° |
| C2 | C13 | C1 | H1B | 60.0° | 60.0° |
| C13 | C2 | H2 | H2A | 120.0° | 120.0° |
| C13 | C2 | H2 | H2B | 120.0° | 120.0° |
| C13 | C2 | H2A | H2B | 120.0° | 120.0° |
| C2 | C13 | C4 | H4 | 59.5° | 180.0° |
| C2 | C13 | C4 | H4A | 60.5° | 60.0° |
| C2 | C13 | C4 | H4B | 179.5° | 60.0° |
| C5 | C3 | O86 | H3 | 120.0° | 120.0° |
| C5 | C3 | O86 | H3A | 120.0° | 120.0° |
| C5 | C3 | O86 | C84 | 150.7° | 180.0° |
| C5 | C3 | H3 | H3A | 119.9° | 120.0° |
| 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 | 78.0° | 180.0° |
| C3 | O86 | C84 | O88 | 104.2° | 0.0° |
| O86 | C3 | H3 | H3A | 120.0° | 119.9° |
| 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 | C13 | O15 | C17 | 46.8° | 179.1° |
| C4 | C13 | C1 | H1 | 59.4° | 180.0° |
| C4 | C13 | C1 | H1A | 60.5° | 60.0° |
| C4 | C13 | C1 | H1B | 179.5° | 60.0° |
| C4 | C13 | C2 | H2 | 60.4° | 60.9° |
| C4 | C13 | C2 | H2A | 179.6° | 59.1° |
| C4 | C13 | C2 | H2B | 59.6° | 179.0° |
| C13 | C4 | H4 | H4A | 120.0° | 120.0° |
| C13 | C4 | H4 | H4B | 120.0° | 120.0° |
| C13 | C4 | H4A | H4B | 120.0° | 120.0° |
| C9 | C7 | C53 | H7 | 180.0° | 179.6° |
| C7 | C9 | C11 | H9 | 180.0° | 180.0° |
| C7 | C9 | C11 | C55 | 0.7° | NaN° |
| C9 | C7 | C53 | C51 | 0.0° | 0.0° |
| C7 | C9 | C11 | H11 | 179.3° | 179.9° |
| C9 | C7 | C53 | H53 | 180.0° | 179.9° |
| C53 | C7 | C9 | C11 | 0.1° | 0.0° |
| C7 | C53 | C51 | C41 | 179.3° | 180.0° |
| C7 | C53 | C51 | H53 | 180.0° | 180.0° |
| C7 | C53 | C51 | C55 | 0.5° | 0.0° |
| C53 | C7 | C9 | H9 | 179.9° | 180.0° |
| C9 | C11 | C55 | H11 | 180.0° | 179.9° |
| C9 | C11 | C55 | C51 | 1.2° | 0.0° |
| C11 | C9 | C7 | H7 | 179.9° | 179.6° |
| C9 | C11 | C55 | H55 | 178.8° | 180.0° |
| C11 | C55 | C51 | C41 | 178.7° | 180.0° |
| C11 | C55 | C51 | C53 | 1.1° | 0.0° |
| C11 | C55 | C51 | H55 | 180.0° | 180.0° |
| C55 | C11 | C9 | H9 | 179.3° | 180.0° |
| C12 | C29 | O27 | C25 | 72.0° | 58.5° |
| C12 | C29 | O27 | C43 | 118.2° | 120.0° |
| C12 | C29 | O27 | C45 | 124.4° | 120.0° |
| C12 | C29 | C43 | C45 | 119.5° | 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° | 57.3° |
| C12 | C29 | C43 | H43A | 60.0° | 177.3° |
| C12 | C29 | C43 | H43B | 60.0° | 62.7° |
| C12 | C29 | C45 | H45 | 180.0° | 64.7° |
| C12 | C29 | C45 | H45A | 60.0° | 175.4° |
| C12 | C29 | C45 | H45B | 60.0° | 55.4° |
| C13 | O15 | C17 | O19 | 18.2° | 4.1° |
| C13 | O15 | C17 | N21 | 164.4° | 175.9° |
| O15 | C13 | C1 | H1 | 62.0° | 60.0° |
| O15 | C13 | C1 | H1A | 178.1° | 60.0° |
| O15 | C13 | C1 | H1B | 58.0° | 180.0° |
| O15 | C13 | C2 | H2 | 60.8° | 179.1° |
| O15 | C13 | C2 | H2A | 59.2° | 61.0° |
| O15 | C13 | C2 | H2B | 179.2° | 59.0° |
| O15 | C13 | C4 | H4 | 59.5° | 60.0° |
| O15 | C13 | C4 | H4A | 179.6° | 60.0° |
| O15 | C13 | C4 | H4B | 60.4° | 180.0° |
| C14 | C25 | C23 | N21 | 172.0° | 56.8° |
| C14 | C25 | C23 | O27 | 118.8° | 120.0° |
| C14 | C25 | C23 | H25 | 118.7° | 120.0° |
| C14 | C25 | C23 | C31 | 51.3° | 63.2° |
| C14 | C25 | O27 | H25 | 118.7° | 120.0° |
| C14 | C25 | O27 | C29 | 100.2° | 121.5° |
| C25 | C14 | H14 | H14A | 120.0° | 120.0° |
| C25 | C14 | H14 | H14B | 120.0° | 120.1° |
| C25 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C25 | C23 | H23 | 65.8° | 176.7° |
| O15 | C17 | O19 | N21 | 177.2° | 180.0° |
| O15 | C17 | N21 | C23 | 179.2° | 175.0° |
| O15 | C17 | N21 | HN21 | 0.7° | 5.0° |
| O19 | C17 | N21 | C23 | 2.0° | 5.0° |
| O19 | C17 | N21 | HN21 | 178.0° | 175.0° |
| C17 | N21 | C23 | HN21 | 180.0° | 180.0° |
| C17 | N21 | C23 | C25 | 112.0° | 86.6° |
| C17 | N21 | C23 | C31 | 125.2° | 153.4° |
| C17 | N21 | C23 | H23 | 8.1° | 33.4° |
| N21 | C23 | C25 | C31 | 120.8° | 120.0° |
| N21 | C23 | C25 | H23 | 122.1° | 119.9° |
| N21 | C23 | C31 | H23 | 122.1° | 120.0° |
| N21 | C23 | C25 | O27 | 69.2° | 176.7° |
| N21 | C23 | C31 | N33 | 140.1° | 161.1° |
| N21 | C23 | C31 | O35 | 37.1° | 18.8° |
| N21 | C23 | C25 | H25 | 53.3° | 63.2° |
| C25 | C23 | C31 | H23 | 120.0° | 120.0° |
| C23 | C25 | O27 | H25 | 119.7° | 120.0° |
| C23 | C25 | O27 | C29 | 138.2° | 118.5° |
| C25 | C23 | C31 | N33 | 102.0° | 78.9° |
| C25 | C23 | C31 | O35 | 80.8° | 101.1° |
| C23 | C25 | C14 | H14 | 180.0° | 56.0° |
| C23 | C25 | C14 | H14A | 60.0° | 176.0° |
| C23 | C25 | C14 | H14B | 60.0° | 64.0° |
| C25 | C23 | N21 | HN21 | 68.0° | 93.5° |
| C31 | C23 | C25 | O27 | 170.0° | 56.8° |
| C23 | C31 | N33 | O35 | 177.1° | 179.9° |
| C23 | C31 | N33 | C37 | 179.7° | 175.5° |
| C31 | C23 | N21 | HN21 | 54.7° | 26.5° |
| C31 | C23 | C25 | H25 | 67.5° | 176.8° |
| C23 | C31 | N33 | HN33 | 0.3° | 4.5° |
| C25 | O27 | C29 | C43 | 169.8° | 61.5° |
| C25 | O27 | C29 | C45 | 52.5° | 178.5° |
| O27 | C25 | C14 | H14 | 62.3° | 63.9° |
| O27 | C25 | C14 | H14A | 177.7° | 56.1° |
| O27 | C25 | C14 | H14B | 57.7° | 176.0° |
| O27 | C25 | C23 | H23 | 52.9° | 63.3° |
| O27 | C29 | C43 | C45 | 120.7° | 120.0° |
| O27 | C29 | C12 | H12 | 180.0° | 55.8° |
| O27 | C29 | C12 | H12A | 60.0° | 175.8° |
| O27 | C29 | C12 | H12B | 60.0° | 64.2° |
| C29 | O27 | C25 | H25 | 18.5° | 1.5° |
| O27 | C29 | C43 | H43 | 60.1° | 177.3° |
| O27 | C29 | C43 | H43A | 59.8° | 62.8° |
| O27 | C29 | C43 | H43B | 179.9° | 57.3° |
| O27 | C29 | C45 | H45 | 55.2° | 55.3° |
| O27 | C29 | C45 | H45A | 175.2° | 64.7° |
| O27 | C29 | C45 | H45B | 64.8° | 175.3° |
| C43 | C29 | C12 | H12 | 63.1° | 175.7° |
| C43 | C29 | C12 | H12A | 57.0° | 64.2° |
| C43 | C29 | C12 | H12B | 177.0° | 55.8° |
| C29 | C43 | H43 | H43A | 120.0° | 120.0° |
| C29 | C43 | H43 | H43B | 120.0° | 120.0° |
| C29 | C43 | H43A | H43B | 120.0° | 120.0° |
| C43 | C29 | C45 | H45 | 61.7° | 175.3° |
| C43 | C29 | C45 | H45A | 58.3° | 55.3° |
| C43 | C29 | C45 | H45B | 178.3° | 64.7° |
| C45 | C29 | C12 | H12 | 54.4° | 64.2° |
| C45 | C29 | C12 | H12A | 174.5° | 55.8° |
| C45 | C29 | C12 | H12B | 65.6° | 175.8° |
| C45 | C29 | C43 | H43 | 60.5° | 62.7° |
| C45 | C29 | C43 | H43A | 179.5° | 57.3° |
| C45 | C29 | C43 | H43B | 59.5° | 177.3° |
| C29 | C45 | H45 | H45A | 120.0° | 120.0° |
| C29 | C45 | H45 | H45B | 120.0° | 120.1° |
| C29 | C45 | H45A | H45B | 120.0° | 120.0° |
| C31 | N33 | C37 | HN33 | 180.0° | 180.0° |
| C31 | N33 | C37 | C39 | 66.1° | 155.0° |
| C31 | N33 | C37 | C41 | 171.5° | 85.0° |
| N33 | C31 | C23 | H23 | 18.0° | 41.1° |
| C31 | N33 | C37 | H37 | 52.1° | 35.0° |
| O35 | C31 | N33 | C37 | 2.6° | 4.5° |
| O35 | C31 | C23 | H23 | 159.2° | 138.8° |
| O35 | C31 | N33 | HN33 | 177.4° | 175.4° |
| N33 | C37 | C39 | C41 | 117.6° | 120.0° |
| N33 | C37 | C39 | H37 | 122.9° | 120.0° |
| N33 | C37 | C41 | H37 | 123.0° | 120.0° |
| N33 | C37 | C39 | O47 | 48.9° | 0.1° |
| N33 | C37 | C39 | N49 | 128.9° | 180.0° |
| N33 | C37 | C41 | C51 | 174.6° | 65.0° |
| N33 | C37 | C41 | H41 | 65.4° | 54.9° |
| N33 | C37 | C41 | H41A | 54.6° | 175.0° |
| C39 | C37 | C41 | H37 | 118.3° | 120.0° |
| C37 | C39 | O47 | N49 | 177.6° | 179.9° |
| C39 | C37 | C41 | C51 | 55.8° | 175.0° |
| C37 | C39 | N49 | C57 | 178.4° | 175.0° |
| C39 | C37 | N33 | HN33 | 113.9° | 25.0° |
| C39 | C37 | C41 | H41 | 175.8° | 65.0° |
| C39 | C37 | C41 | H41A | 64.2° | 55.0° |
| C37 | C39 | N49 | HN49 | 1.6° | 5.1° |
| C41 | C37 | C39 | O47 | 68.7° | 120.0° |
| C41 | C37 | C39 | N49 | 113.5° | 60.0° |
| C37 | C41 | C51 | H41 | 120.0° | 120.0° |
| C37 | C41 | C51 | H41A | 120.0° | 120.0° |
| C37 | C41 | C51 | C53 | 122.1° | 90.0° |
| C37 | C41 | C51 | C55 | 57.8° | 90.0° |
| C41 | C37 | N33 | HN33 | 8.5° | 95.0° |
| C37 | C41 | H41 | H41A | 119.7° | 120.0° |
| O47 | C39 | N49 | C57 | 0.8° | 4.9° |
| O47 | C39 | C37 | H37 | 171.8° | 120.1° |
| O47 | C39 | N49 | HN49 | 179.2° | 175.0° |
| C39 | N49 | C57 | HN49 | 180.0° | 180.0° |
| C39 | N49 | C57 | C59 | 121.5° | 84.5° |
| C39 | N49 | C57 | C63 | 116.5° | 155.4° |
| N49 | C39 | C37 | H37 | 5.9° | 60.0° |
| C39 | N49 | C57 | H57 | 2.3° | 35.4° |
| C41 | C51 | C53 | C55 | 179.9° | 180.0° |
| C51 | C41 | C37 | H37 | 62.5° | 55.0° |
| C51 | C41 | H41 | H41A | 119.7° | 120.0° |
| C41 | C51 | C53 | H53 | 0.6° | 0.1° |
| C41 | C51 | C55 | H55 | 1.3° | 0.0° |
| N49 | C57 | C59 | C63 | 118.1° | 120.1° |
| N49 | C57 | C59 | H57 | 123.0° | 119.9° |
| N49 | C57 | C63 | H57 | 123.0° | 120.0° |
| N49 | C57 | C59 | C61 | 62.4° | 174.0° |
| N49 | C57 | C63 | C82 | 73.3° | 65.0° |
| N49 | C57 | C59 | H59 | 57.6° | 54.0° |
| N49 | C57 | C59 | H59A | 177.5° | 66.0° |
| N49 | C57 | C63 | H63 | 166.7° | 175.0° |
| N49 | C57 | C63 | H63A | 46.7° | 55.0° |
| C51 | C53 | C7 | H7 | 180.0° | 179.6° |
| C53 | C51 | C41 | H41 | 117.9° | 30.0° |
| C53 | C51 | C41 | H41A | 2.1° | 150.0° |
| C53 | C51 | C55 | H55 | 178.9° | 180.0° |
| C51 | C55 | C11 | H11 | 178.8° | 179.9° |
| C55 | C51 | C41 | H41 | 62.3° | 150.1° |
| C55 | C51 | C41 | H41A | 177.7° | 30.1° |
| C55 | C51 | C53 | H53 | 179.5° | 180.0° |
| C59 | C57 | C63 | H57 | 119.3° | 120.0° |
| C57 | C59 | C61 | H59 | 120.0° | 120.0° |
| C57 | C59 | C61 | H59A | 120.0° | 120.0° |
| C57 | C59 | C61 | C65 | 166.3° | 65.7° |
| C57 | C59 | C61 | C73 | 47.6° | 179.6° |
| C59 | C57 | C63 | C82 | 169.1° | 175.0° |
| C59 | C57 | N49 | HN49 | 58.4° | 95.4° |
| C57 | C59 | H59 | H59A | 118.1° | 120.0° |
| C57 | C59 | C61 | H61 | 71.9° | 56.9° |
| C59 | C57 | C63 | H63 | 49.0° | 55.0° |
| C59 | C57 | C63 | H63A | 70.9° | 65.0° |
| C63 | C57 | C59 | C61 | 179.4° | 66.0° |
| C57 | C63 | C82 | H63 | 120.0° | 119.9° |
| C57 | C63 | C82 | H63A | 120.0° | 120.0° |
| C57 | C63 | C82 | C84 | 66.0° | 180.0° |
| C63 | C57 | N49 | HN49 | 63.5° | 24.6° |
| C63 | C57 | C59 | H59 | 60.6° | 174.0° |
| C63 | C57 | C59 | H59A | 59.4° | 54.0° |
| C57 | C63 | H63 | H63A | 119.2° | 120.0° |
| C57 | C63 | C82 | H82 | 174.0° | 60.0° |
| C57 | C63 | C82 | H82A | 54.0° | 60.0° |
| C59 | C61 | C65 | C73 | 126.8° | 118.7° |
| C59 | C61 | C65 | H61 | 112.8° | 122.5° |
| C59 | C61 | C73 | H61 | 112.5° | 122.5° |
| C59 | C61 | C65 | O66 | 43.3° | 77.5° |
| C59 | C61 | C65 | N69 | 139.7° | 102.4° |
| C59 | C61 | C73 | C71 | 148.0° | 93.9° |
| C61 | C59 | C57 | H57 | 60.6° | 54.1° |
| C61 | C59 | H59 | H59A | 118.1° | 120.0° |
| C59 | C61 | C73 | H73 | 28.0° | 24.2° |
| C59 | C61 | C73 | H73A | 92.0° | 148.0° |
| C65 | C61 | C73 | H61 | 122.5° | 118.8° |
| C61 | C65 | O66 | N69 | 176.5° | 179.9° |
| C61 | C65 | N69 | C71 | 3.3° | 0.4° |
| C65 | C61 | C73 | C71 | 23.0° | 24.8° |
| C65 | C61 | C59 | H59 | 73.7° | 54.4° |
| C65 | C61 | C59 | H59A | 46.3° | 174.3° |
| C61 | C65 | N69 | HN69 | 176.7° | 179.6° |
| C65 | C61 | C73 | H73 | 97.0° | 142.9° |
| C65 | C61 | C73 | H73A | 143.0° | 93.3° |
| C73 | C61 | C65 | O66 | 170.1° | 163.8° |
| C73 | C61 | C65 | N69 | 12.9° | 16.3° |
| C61 | C73 | C71 | N69 | 23.9° | 25.4° |
| C61 | C73 | C71 | H73 | 120.0° | 118.1° |
| C61 | C73 | C71 | H73A | 120.0° | 118.1° |
| C73 | C61 | C59 | H59 | 167.5° | 60.4° |
| C73 | C61 | C59 | H59A | 72.5° | 59.5° |
| C61 | C73 | C71 | H71 | 96.1° | 144.4° |
| C61 | C73 | C71 | H71A | 143.8° | 93.6° |
| C61 | C73 | H73 | H73A | 121.6° | 123.8° |
| C63 | C82 | C84 | H82 | 120.0° | 119.9° |
| C63 | C82 | C84 | H82A | 120.0° | 120.0° |
| C63 | C82 | C84 | O86 | 165.4° | 180.0° |
| C63 | C82 | C84 | O88 | 16.9° | 0.0° |
| C82 | C63 | C57 | H57 | 49.7° | 55.0° |
| C82 | C63 | H63 | H63A | 119.2° | 120.0° |
| C63 | C82 | H82 | H82A | 117.8° | 119.9° |
| O66 | C65 | N69 | C71 | 173.6° | 179.6° |
| O66 | C65 | C61 | H61 | 69.5° | 44.9° |
| O66 | C65 | N69 | HN69 | 6.4° | 0.5° |
| C65 | N69 | C71 | HN69 | 180.0° | 179.9° |
| C65 | N69 | C71 | C73 | 17.8° | 17.0° |
| N69 | C65 | C61 | H61 | 107.5° | 135.1° |
| C65 | N69 | C71 | H71 | 102.2° | 136.0° |
| C65 | N69 | C71 | H71A | 137.8° | 102.0° |
| N69 | C71 | C73 | H71 | 120.0° | 119.0° |
| N69 | C71 | C73 | H71A | 120.0° | 119.0° |
| N69 | C71 | H71 | H71A | 124.2° | 122.0° |
| N69 | C71 | C73 | H73 | 96.1° | 143.5° |
| N69 | C71 | C73 | H73A | 143.8° | 92.7° |
| C71 | C73 | C61 | H61 | 99.5° | 143.6° |
| C73 | C71 | N69 | HN69 | 162.2° | 163.0° |
| C73 | C71 | H71 | H71A | 124.2° | 122.0° |
| C71 | C73 | H73 | H73A | 121.7° | 123.8° |
| C82 | C84 | O86 | O88 | 177.8° | 180.0° |
| C84 | C82 | C63 | H63 | 54.0° | 60.1° |
| C84 | C82 | C63 | H63A | 174.0° | 60.0° |
| C84 | C82 | H82 | H82A | 117.8° | 120.1° |
| C84 | O86 | C3 | H3 | 89.4° | 60.0° |
| C84 | O86 | C3 | H3A | 30.7° | 60.0° |
| O86 | C84 | C82 | H82 | 74.6° | 60.0° |
| O86 | C84 | C82 | H82A | 45.4° | 60.0° |
| O88 | C84 | C82 | H82 | 103.2° | 120.0° |
| O88 | C84 | C82 | H82A | 136.9° | 120.0° |
| H1 | C1 | H1A | H1B | 120.0° | 119.9° |
| H2 | C2 | H2A | H2B | 120.0° | 120.1° |
| H3 | C3 | C5 | H5 | 60.0° | 60.0° |
| H3 | C3 | C5 | H5A | 60.0° | 180.0° |
| H3 | C3 | C5 | H5B | 180.0° | 60.0° |
| H3A | C3 | C5 | H5 | 60.0° | 180.0° |
| H3A | C3 | C5 | H5A | 180.0° | 60.0° |
| H3A | C3 | C5 | H5B | 60.0° | 60.0° |
| H4 | C4 | H4A | H4B | 119.9° | 120.0° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |
| H7 | C7 | C9 | H9 | 0.1° | 0.4° |
| H7 | C7 | C53 | H53 | 0.0° | 0.3° |
| H9 | C9 | C11 | H11 | 0.7° | 0.1° |
| H11 | C11 | C55 | H55 | 1.2° | 0.0° |
| H12 | C12 | H12A | H12B | 120.0° | 119.9° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H14 | C14 | C25 | H25 | 60.2° | 176.0° |
| H14A | C14 | C25 | H25 | 59.8° | 64.0° |
| H14B | C14 | C25 | H25 | 179.8° | 56.0° |
| HN21 | N21 | C23 | H23 | 171.9° | 146.6° |
| H23 | C23 | C25 | H25 | 175.4° | 56.7° |
| HN33 | N33 | C37 | H37 | 127.9° | 145.1° |
| H37 | C37 | C41 | H41 | 57.6° | 175.0° |
| H37 | C37 | C41 | H41A | 177.6° | 65.0° |
| H43 | C43 | H43A | H43B | 120.0° | 120.0° |
| H45 | C45 | H45A | H45B | 120.0° | 120.0° |
| HN49 | N49 | C57 | H57 | 177.7° | 144.6° |
| H57 | C57 | C59 | H59 | 179.4° | 66.0° |
| H57 | C57 | C59 | H59A | 59.4° | 174.0° |
| H57 | C57 | C63 | H63 | 70.3° | 65.0° |
| H57 | C57 | C63 | H63A | 169.8° | 175.0° |
| H59 | C59 | C61 | H61 | 48.1° | 176.9° |
| H59A | C59 | C61 | H61 | 168.1° | 63.1° |
| H61 | C61 | C73 | H73 | 140.5° | 98.3° |
| H61 | C61 | C73 | H73A | 20.5° | 25.5° |
| H63 | C63 | C82 | H82 | 66.0° | 179.9° |
| H63 | C63 | C82 | H82A | 174.0° | 60.0° |
| H63A | C63 | C82 | H82 | 54.0° | 60.0° |
| H63A | C63 | C82 | H82A | 66.0° | 179.9° |
| HN69 | N69 | C71 | H71 | 77.8° | 44.0° |
| HN69 | N69 | C71 | H71A | 42.2° | 78.1° |
| H71 | C71 | C73 | H73 | 143.9° | 97.5° |
| H71 | C71 | C73 | H73A | 23.9° | 26.3° |
| H71A | C71 | C73 | H73 | 23.9° | 24.6° |
| H71A | C71 | C73 | H73A | 96.2° | 148.3° |
