D0R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N11 | sing | 1.47Å | 1.41Å | |
| N11 | HN11 | sing | 1.01Å | 1.00Å | |
| N11 | HN1A | sing | 1.01Å | 1.00Å | |
| C26 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | O41 | sing | 1.43Å | 1.45Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N58 | C15 | sing | 1.46Å | 1.44Å | |
| C15 | C44 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| N58 | C18 | sing | 1.35Å | 1.32Å | |
| C18 | O61 | doub | 1.21Å | 1.23Å | |
| N20 | C19 | sing | 1.47Å | 1.49Å | |
| C19 | C62 | sing | 1.53Å | 1.50Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | N20 | sing | 1.35Å | 1.34Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| N74 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | O76 | doub | 1.22Å | 1.21Å | |
| C28 | C26 | sing | 1.51Å | 1.50Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C35 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| C44 | C45 | sing | 1.51Å | 1.50Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C52 | C45 | doub | 1.38Å | 1.41Å | Aromatic |
| C45 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C48 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C50 | C49 | sing | 1.38Å | 1.39Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C51 | C50 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C52 | C51 | sing | 1.38Å | 1.39Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| N58 | HN58 | sing | 0.97Å | 1.00Å | |
| C64 | C62 | sing | 1.53Å | 1.52Å | |
| C62 | C68 | sing | 1.53Å | 1.52Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C64 | H64 | sing | 1.09Å | 1.10Å | |
| C64 | H64A | sing | 1.09Å | 1.10Å | |
| C64 | H64B | sing | 1.09Å | 1.10Å | |
| C68 | H68 | sing | 1.09Å | 1.10Å | |
| C68 | H68A | sing | 1.09Å | 1.10Å | |
| C68 | H68B | sing | 1.09Å | 1.10Å | |
| C95 | N74 | sing | 1.47Å | 1.27Å | |
| C75 | N74 | sing | 1.46Å | 1.47Å | |
| C77 | C75 | sing | 1.51Å | 1.54Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C75 | H75A | sing | 1.09Å | 1.10Å | |
| N83 | C77 | sing | 1.32Å | 1.39Å | Aromatic |
| C77 | C80 | doub | 1.34Å | 1.41Å | Aromatic |
| S81 | C80 | sing | 1.76Å | 1.74Å | Aromatic |
| C80 | H80 | sing | 1.08Å | 1.08Å | |
| C82 | S81 | sing | 1.71Å | 1.74Å | Aromatic |
| C85 | C82 | sing | 1.51Å | 1.51Å | |
| C82 | N83 | doub | 1.29Å | 1.38Å | Aromatic |
| C86 | C85 | sing | 1.53Å | 1.53Å | |
| C90 | C85 | sing | 1.53Å | 1.53Å | |
| C85 | H85 | sing | 1.09Å | 1.10Å | |
| C86 | H86 | sing | 1.09Å | 1.10Å | |
| C86 | H86A | sing | 1.09Å | 1.10Å | |
| C86 | H86B | sing | 1.09Å | 1.10Å | |
| C90 | H90 | sing | 1.09Å | 1.10Å | |
| C90 | H90A | sing | 1.09Å | 1.10Å | |
| C90 | H90B | sing | 1.09Å | 1.10Å | |
| C95 | H95 | sing | 1.09Å | 1.10Å | |
| C95 | H95A | sing | 1.09Å | 1.10Å | |
| C95 | H95B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N11 | HN11 | 109.5° | 111.0° |
| C12 | N11 | HN1A | 109.5° | 111.0° |
| N11 | C12 | C26 | 126.6° | 109.5° |
| N11 | C12 | C13 | 92.1° | 109.5° |
| N11 | C12 | H12 | 107.3° | 109.4° |
| HN11 | N11 | HN1A | 109.4° | 111.0° |
| C26 | C12 | C13 | 96.2° | 109.5° |
| C26 | C12 | H12 | 103.9° | 109.5° |
| C12 | C26 | C28 | 118.8° | 109.5° |
| C12 | C26 | H26 | 106.5° | 109.5° |
| C12 | C26 | H26A | 106.5° | 109.4° |
| C13 | C12 | H12 | 133.9° | 109.5° |
| C12 | C13 | C14 | 118.6° | 109.4° |
| C12 | C13 | O41 | 113.5° | 109.5° |
| C12 | C13 | H13 | 98.7° | 109.5° |
| C14 | C13 | O41 | 107.3° | 109.5° |
| C14 | C13 | H13 | 106.1° | 109.4° |
| C13 | C14 | C15 | 111.8° | 109.4° |
| C13 | C14 | H14 | 108.7° | 109.5° |
| C13 | C14 | H14A | 108.7° | 109.5° |
| O41 | C13 | H13 | 112.2° | 109.5° |
| C13 | O41 | HO41 | 109.5° | 114.0° |
| C15 | C14 | H14 | 108.7° | 109.4° |
| C15 | C14 | H14A | 108.7° | 109.5° |
| C14 | C15 | N58 | 101.1° | 109.5° |
| C14 | C15 | C44 | 119.1° | 109.5° |
| C14 | C15 | H15 | 111.4° | 109.5° |
| H14 | C14 | H14A | 110.2° | 109.5° |
| N58 | C15 | C44 | 115.8° | 109.5° |
| N58 | C15 | H15 | 115.1° | 109.5° |
| C15 | N58 | C18 | 132.1° | 120.0° |
| C15 | N58 | HN58 | 113.9° | 120.0° |
| C44 | C15 | H15 | 95.1° | 109.5° |
| C15 | C44 | C45 | 129.8° | 109.5° |
| C15 | C44 | H44 | 103.2° | 109.5° |
| C15 | C44 | H44A | 103.2° | 109.5° |
| C19 | C18 | N58 | 105.6° | 120.0° |
| C19 | C18 | O61 | 127.5° | 120.0° |
| C18 | C19 | N20 | 123.5° | 109.5° |
| C18 | C19 | C62 | 114.6° | 109.5° |
| C18 | C19 | H19 | 92.8° | 109.5° |
| N58 | C18 | O61 | 126.8° | 120.0° |
| C18 | N58 | HN58 | 113.9° | 120.0° |
| N20 | C19 | C62 | 108.5° | 109.5° |
| N20 | C19 | H19 | 101.5° | 109.5° |
| C19 | N20 | C21 | 129.8° | 120.0° |
| C19 | N20 | HN20 | 115.1° | 120.0° |
| C62 | C19 | H19 | 113.9° | 109.5° |
| C19 | C62 | C64 | 105.7° | 109.5° |
| C19 | C62 | C68 | 110.2° | 109.4° |
| C19 | C62 | H62 | 112.9° | 109.4° |
| C21 | N20 | HN20 | 115.1° | 120.0° |
| N20 | C21 | N74 | 120.1° | 120.0° |
| N20 | C21 | O76 | 121.7° | 120.0° |
| N74 | C21 | O76 | 118.2° | 120.0° |
| C21 | N74 | C95 | 117.8° | 120.0° |
| C21 | N74 | C75 | 125.2° | 120.0° |
| C28 | C26 | H26 | 106.5° | 109.5° |
| C28 | C26 | H26A | 106.5° | 109.4° |
| C26 | C28 | C35 | 120.6° | 120.1° |
| C26 | C28 | C31 | 119.4° | 120.0° |
| H26 | C26 | H26A | 112.3° | 109.5° |
| C35 | C28 | C31 | 120.1° | 120.0° |
| C28 | C35 | C34 | 119.4° | 120.0° |
| C28 | C35 | H35 | 120.3° | 119.9° |
| C28 | C31 | C32 | 121.8° | 120.0° |
| C28 | C31 | H31 | 119.1° | 120.0° |
| C32 | C31 | H31 | 119.1° | 120.0° |
| C31 | C32 | C33 | 118.2° | 120.0° |
| C31 | C32 | H32 | 120.9° | 120.0° |
| C33 | C32 | H32 | 120.9° | 120.0° |
| C32 | C33 | C34 | 120.9° | 120.0° |
| C32 | C33 | H33 | 119.6° | 119.9° |
| C34 | C33 | H33 | 119.6° | 120.1° |
| C33 | C34 | C35 | 119.7° | 120.0° |
| C33 | C34 | H34 | 120.1° | 120.0° |
| C35 | C34 | H34 | 120.2° | 120.0° |
| C34 | C35 | H35 | 120.3° | 120.0° |
| C45 | C44 | H44 | 103.2° | 109.5° |
| C45 | C44 | H44A | 103.2° | 109.5° |
| C44 | C45 | C52 | 125.0° | 120.0° |
| C44 | C45 | C48 | 117.9° | 120.0° |
| H44 | C44 | H44A | 115.0° | 109.5° |
| C52 | C45 | C48 | 117.1° | 120.0° |
| C45 | C52 | C51 | 122.7° | 120.0° |
| C45 | C52 | H52 | 118.7° | 120.0° |
| C45 | C48 | C49 | 121.4° | 120.0° |
| C45 | C48 | H48 | 119.3° | 120.0° |
| C49 | C48 | H48 | 119.3° | 120.0° |
| C48 | C49 | C50 | 120.5° | 120.0° |
| C48 | C49 | H49 | 119.8° | 120.0° |
| C50 | C49 | H49 | 119.7° | 120.0° |
| C49 | C50 | C51 | 119.9° | 120.0° |
| C49 | C50 | H50 | 120.0° | 120.0° |
| C51 | C50 | H50 | 120.0° | 120.1° |
| C50 | C51 | C52 | 118.3° | 120.0° |
| C50 | C51 | H51 | 120.8° | 120.0° |
| C52 | C51 | H51 | 120.8° | 120.0° |
| C51 | C52 | H52 | 118.6° | 120.0° |
| C64 | C62 | C68 | 113.4° | 109.5° |
| C64 | C62 | H62 | 109.7° | 109.5° |
| C62 | C64 | H64 | 109.5° | 109.5° |
| C62 | C64 | H64A | 109.5° | 109.5° |
| C62 | C64 | H64B | 109.5° | 109.4° |
| C68 | C62 | H62 | 105.1° | 109.5° |
| C62 | C68 | H68 | 109.5° | 109.5° |
| C62 | C68 | H68A | 109.5° | 109.4° |
| C62 | C68 | H68B | 109.5° | 109.5° |
| H64 | C64 | H64A | 109.5° | 109.5° |
| H64 | C64 | H64B | 109.4° | 109.4° |
| H64A | C64 | H64B | 109.5° | 109.5° |
| H68 | C68 | H68A | 109.4° | 109.4° |
| H68 | C68 | H68B | 109.5° | 109.5° |
| H68A | C68 | H68B | 109.5° | 109.5° |
| C95 | N74 | C75 | 117.0° | 120.0° |
| N74 | C95 | H95 | 109.5° | 109.5° |
| N74 | C95 | H95A | 109.5° | 109.5° |
| N74 | C95 | H95B | 109.5° | 109.5° |
| N74 | C75 | C77 | 110.6° | 109.5° |
| N74 | C75 | H75 | 109.1° | 109.5° |
| N74 | C75 | H75A | 109.1° | 109.5° |
| C77 | C75 | H75 | 109.1° | 109.4° |
| C77 | C75 | H75A | 109.1° | 109.5° |
| C75 | C77 | N83 | 125.4° | 122.7° |
| C75 | C77 | C80 | 121.1° | 122.8° |
| H75 | C75 | H75A | 109.9° | 109.5° |
| N83 | C77 | C80 | 113.5° | 114.5° |
| C77 | N83 | C82 | 116.2° | 117.1° |
| C77 | C80 | S81 | 107.7° | 107.9° |
| C77 | C80 | H80 | 126.2° | 126.0° |
| S81 | C80 | H80 | 126.2° | 126.1° |
| C80 | S81 | C82 | 95.1° | 90.3° |
| S81 | C82 | C85 | 117.4° | 125.0° |
| S81 | C82 | N83 | 107.5° | 110.2° |
| C85 | C82 | N83 | 135.1° | 124.9° |
| C82 | C85 | C86 | 114.7° | 109.4° |
| C82 | C85 | C90 | 110.1° | 109.5° |
| C82 | C85 | H85 | 105.4° | 109.5° |
| C86 | C85 | C90 | 109.4° | 109.5° |
| C86 | C85 | H85 | 106.1° | 109.4° |
| C85 | C86 | H86 | 109.5° | 109.5° |
| C85 | C86 | H86A | 109.5° | 109.5° |
| C85 | C86 | H86B | 109.4° | 109.5° |
| C90 | C85 | H85 | 111.1° | 109.5° |
| C85 | C90 | H90 | 109.5° | 109.5° |
| C85 | C90 | H90A | 109.5° | 109.5° |
| C85 | C90 | H90B | 109.4° | 109.4° |
| H86 | C86 | H86A | 109.4° | 109.4° |
| H86 | C86 | H86B | 109.5° | 109.5° |
| H86A | C86 | H86B | 109.5° | 109.5° |
| H90 | C90 | H90A | 109.4° | 109.5° |
| H90 | C90 | H90B | 109.5° | 109.4° |
| H90A | C90 | H90B | 109.5° | 109.4° |
| H95 | C95 | H95A | 109.5° | 109.5° |
| H95 | C95 | H95B | 109.5° | 109.4° |
| H95A | C95 | H95B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N11 | HN11 | HN1A | 120.0° | 123.9° |
| N11 | C12 | C26 | C13 | 97.3° | 120.0° |
| N11 | C12 | C26 | H12 | 124.5° | 120.0° |
| N11 | C12 | C13 | H12 | 116.8° | 120.0° |
| N11 | C12 | C13 | C14 | 160.5° | 60.0° |
| N11 | C12 | C13 | O41 | 72.2° | 60.0° |
| N11 | C12 | C13 | H13 | 46.7° | 180.0° |
| N11 | C12 | C26 | C28 | 152.7° | 65.1° |
| N11 | C12 | C26 | H26 | 32.6° | 55.0° |
| N11 | C12 | C26 | H26A | 87.3° | 175.0° |
| HN11 | N11 | C12 | C26 | 180.0° | 59.9° |
| HN11 | N11 | C12 | C13 | 80.7° | 60.0° |
| HN11 | N11 | C12 | H12 | 57.0° | 179.9° |
| HN1A | N11 | C12 | C26 | 60.0° | 64.0° |
| HN1A | N11 | C12 | C13 | 39.3° | 176.0° |
| HN1A | N11 | C12 | H12 | 177.0° | 56.0° |
| C26 | C12 | C13 | H12 | 116.1° | 120.1° |
| C26 | C12 | C13 | C14 | 33.3° | 180.0° |
| C26 | C12 | C13 | O41 | 160.6° | 60.0° |
| C26 | C12 | C13 | H13 | 80.5° | 60.1° |
| C12 | C26 | C28 | H26 | 120.0° | 120.0° |
| C12 | C26 | C28 | H26A | 120.0° | 119.9° |
| C12 | C26 | H26 | H26A | 116.1° | 120.0° |
| C12 | C26 | C28 | C35 | 170.6° | 90.3° |
| C12 | C26 | C28 | C31 | 8.1° | 90.1° |
| C12 | C13 | C14 | O41 | 130.2° | 120.0° |
| C12 | C13 | C14 | H13 | 109.7° | 120.0° |
| C12 | C13 | O41 | H13 | 110.8° | 120.1° |
| C12 | C13 | C14 | C15 | 138.5° | 173.3° |
| C12 | C13 | C14 | H14 | 18.5° | 66.8° |
| C12 | C13 | C14 | H14A | 101.5° | 53.3° |
| C13 | C12 | C26 | C28 | 110.0° | 175.0° |
| C13 | C12 | C26 | H26 | 130.0° | 65.0° |
| C13 | C12 | C26 | H26A | 10.0° | 55.1° |
| C12 | C13 | O41 | HO41 | 180.0° | 59.9° |
| H12 | C12 | C13 | C14 | 82.8° | 60.0° |
| H12 | C12 | C13 | O41 | 44.5° | 180.0° |
| H12 | C12 | C13 | H13 | 163.4° | 60.0° |
| H12 | C12 | C26 | C28 | 28.2° | 54.9° |
| H12 | C12 | C26 | H26 | 91.8° | 175.0° |
| H12 | C12 | C26 | H26A | 148.2° | 65.0° |
| C14 | C13 | O41 | H13 | 116.1° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 119.0° | 120.0° |
| C13 | C14 | C15 | N58 | 129.5° | 69.4° |
| C13 | C14 | C15 | C44 | 102.3° | 170.6° |
| C13 | C14 | C15 | H15 | 6.8° | 50.7° |
| C14 | C13 | O41 | HO41 | 47.0° | 60.1° |
| O41 | C13 | C14 | C15 | 8.3° | 66.7° |
| O41 | C13 | C14 | H14 | 111.7° | 53.2° |
| O41 | C13 | C14 | H14A | 128.4° | 173.3° |
| H13 | C13 | C14 | C15 | 111.8° | 53.3° |
| H13 | C13 | C14 | H14 | 128.2° | 173.2° |
| H13 | C13 | C14 | H14A | 8.3° | 66.7° |
| H13 | C13 | O41 | HO41 | 69.2° | 179.9° |
| C15 | C14 | H14 | H14A | 119.1° | 120.0° |
| C14 | C15 | N58 | C44 | 130.3° | 120.0° |
| C14 | C15 | N58 | H15 | 120.2° | 120.0° |
| C14 | C15 | C44 | H15 | 117.9° | 120.0° |
| C14 | C15 | N58 | C18 | 152.0° | 141.2° |
| C14 | C15 | C44 | C45 | 130.3° | 175.0° |
| C14 | C15 | C44 | H44 | 10.3° | 65.0° |
| C14 | C15 | C44 | H44A | 109.7° | 55.0° |
| C14 | C15 | N58 | HN58 | 28.0° | 38.8° |
| H14 | C14 | C15 | N58 | 9.5° | 50.6° |
| H14 | C14 | C15 | C44 | 137.7° | 69.4° |
| H14 | C14 | C15 | H15 | 113.2° | 170.6° |
| H14A | C14 | C15 | N58 | 110.4° | 170.7° |
| H14A | C14 | C15 | C44 | 17.7° | 50.7° |
| H14A | C14 | C15 | H15 | 126.8° | 69.3° |
| N58 | C15 | C44 | H15 | 121.1° | 120.0° |
| C15 | N58 | C18 | C19 | 177.2° | 174.1° |
| C15 | N58 | C18 | HN58 | 180.0° | 180.0° |
| C15 | N58 | C18 | O61 | 0.7° | 6.0° |
| N58 | C15 | C44 | C45 | 9.3° | 65.0° |
| N58 | C15 | C44 | H44 | 110.7° | 55.0° |
| N58 | C15 | C44 | H44A | 129.3° | 175.0° |
| C44 | C15 | N58 | C18 | 77.7° | 98.8° |
| C15 | C44 | C45 | H44 | 120.0° | 120.0° |
| C15 | C44 | C45 | H44A | 120.0° | 120.0° |
| C15 | C44 | H44 | H44A | 111.6° | 120.0° |
| C15 | C44 | C45 | C52 | 5.4° | 90.3° |
| C15 | C44 | C45 | C48 | 174.5° | 90.0° |
| C44 | C15 | N58 | HN58 | 102.3° | 81.2° |
| H15 | C15 | N58 | C18 | 31.9° | 21.2° |
| H15 | C15 | C44 | C45 | 111.8° | 55.0° |
| H15 | C15 | C44 | H44 | 128.2° | 175.0° |
| H15 | C15 | C44 | H44A | 8.2° | 65.0° |
| H15 | C15 | N58 | HN58 | 148.1° | 158.8° |
| C19 | C18 | N58 | O61 | 176.5° | 179.9° |
| C18 | C19 | N20 | C62 | 138.5° | 120.0° |
| C18 | C19 | N20 | H19 | 101.2° | 120.0° |
| C18 | C19 | C62 | H19 | 105.2° | 120.0° |
| C18 | C19 | N20 | C21 | 36.1° | 155.0° |
| C18 | C19 | N20 | HN20 | 143.9° | 25.0° |
| C19 | C18 | N58 | HN58 | 2.9° | 5.9° |
| C18 | C19 | C62 | C64 | 121.2° | 66.4° |
| C18 | C19 | C62 | C68 | 116.0° | 173.6° |
| C18 | C19 | C62 | H62 | 1.2° | 53.6° |
| N58 | C18 | C19 | N20 | 61.6° | 164.9° |
| N58 | C18 | C19 | C62 | 162.1° | 75.1° |
| N58 | C18 | C19 | H19 | 44.2° | 44.9° |
| O61 | C18 | C19 | N20 | 121.9° | 15.2° |
| O61 | C18 | C19 | C62 | 14.3° | 104.8° |
| O61 | C18 | C19 | H19 | 132.3° | 135.2° |
| O61 | C18 | N58 | HN58 | 179.3° | 174.0° |
| N20 | C19 | C62 | H19 | 112.3° | 120.0° |
| C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C21 | N74 | 177.0° | 179.7° |
| C19 | N20 | C21 | O76 | 4.7° | 0.0° |
| N20 | C19 | C62 | C64 | 96.3° | 173.6° |
| N20 | C19 | C62 | C68 | 26.5° | 53.6° |
| N20 | C19 | C62 | H62 | 143.8° | 66.4° |
| C62 | C19 | N20 | C21 | 174.6° | 85.0° |
| C62 | C19 | N20 | HN20 | 5.4° | 95.0° |
| C19 | C62 | C64 | C68 | 120.8° | 120.0° |
| C19 | C62 | C64 | H62 | 122.0° | 120.0° |
| C19 | C62 | C68 | H62 | 122.0° | 120.0° |
| C19 | C62 | C64 | H64 | 180.0° | 55.4° |
| C19 | C62 | C64 | H64A | 60.0° | 175.5° |
| C19 | C62 | C64 | H64B | 60.0° | 64.5° |
| C19 | C62 | C68 | H68 | 180.0° | 60.1° |
| C19 | C62 | C68 | H68A | 60.0° | 180.0° |
| C19 | C62 | C68 | H68B | 60.0° | 60.0° |
| H19 | C19 | N20 | C21 | 65.1° | 35.0° |
| H19 | C19 | N20 | HN20 | 114.9° | 145.0° |
| H19 | C19 | C62 | C64 | 16.0° | 53.6° |
| H19 | C19 | C62 | C68 | 138.8° | 66.4° |
| H19 | C19 | C62 | H62 | 104.0° | 173.6° |
| N20 | C21 | N74 | O76 | 178.3° | 179.8° |
| N20 | C21 | N74 | C95 | 178.1° | 0.1° |
| N20 | C21 | N74 | C75 | 2.8° | 180.0° |
| HN20 | N20 | C21 | N74 | 3.0° | 0.3° |
| HN20 | N20 | C21 | O76 | 175.3° | 180.0° |
| C21 | N74 | C95 | C75 | 179.2° | 179.9° |
| C21 | N74 | C75 | C77 | 67.7° | 90.1° |
| C21 | N74 | C75 | H75 | 172.3° | 150.0° |
| C21 | N74 | C75 | H75A | 52.3° | 30.0° |
| C21 | N74 | C95 | H95 | 180.0° | 89.9° |
| C21 | N74 | C95 | H95A | 60.0° | 150.0° |
| C21 | N74 | C95 | H95B | 60.0° | 30.0° |
| O76 | C21 | N74 | C95 | 0.3° | 179.7° |
| O76 | C21 | N74 | C75 | 178.9° | 0.2° |
| C28 | C26 | H26 | H26A | 116.1° | 120.0° |
| C26 | C28 | C35 | C31 | 178.8° | 179.7° |
| C26 | C28 | C31 | C32 | 179.3° | 180.0° |
| C26 | C28 | C31 | H31 | 0.8° | 0.1° |
| C26 | C28 | C35 | C34 | 180.0° | 179.7° |
| C26 | C28 | C35 | H35 | 0.0° | 0.3° |
| H26 | C26 | C28 | C35 | 69.4° | 149.7° |
| H26 | C26 | C28 | C31 | 111.9° | 30.0° |
| H26A | C26 | C28 | C35 | 50.6° | 29.7° |
| H26A | C26 | C28 | C31 | 128.2° | 150.0° |
| C35 | C28 | C31 | C32 | 0.5° | 0.4° |
| C35 | C28 | C31 | H31 | 179.5° | 179.7° |
| C28 | C35 | C34 | C33 | 2.0° | 0.6° |
| C28 | C35 | C34 | H35 | 180.0° | 179.4° |
| C28 | C35 | C34 | H34 | 178.0° | 179.6° |
| C28 | C31 | C32 | H31 | 180.0° | 179.9° |
| C28 | C31 | C32 | C33 | 0.6° | 0.0° |
| C28 | C31 | C32 | H32 | 179.4° | 180.0° |
| C31 | C28 | C35 | C34 | 1.2° | 0.6° |
| C31 | C28 | C35 | H35 | 178.8° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 1.4° | 0.0° |
| C31 | C32 | C33 | H33 | 178.6° | 180.0° |
| H31 | C31 | C32 | C33 | 179.5° | 179.9° |
| H31 | C31 | C32 | H32 | 0.5° | 0.1° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 2.1° | 0.3° |
| C32 | C33 | C34 | H34 | 177.9° | 180.0° |
| H32 | C32 | C33 | C34 | 178.6° | 180.0° |
| H32 | C32 | C33 | H33 | 1.4° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.8° |
| C33 | C34 | C35 | H35 | 178.0° | 180.0° |
| H33 | C33 | C34 | C35 | 177.9° | 179.7° |
| H33 | C33 | C34 | H34 | 2.1° | 0.1° |
| H34 | C34 | C35 | H35 | 2.0° | 0.3° |
| C45 | C44 | H44 | H44A | 111.5° | 120.0° |
| C44 | C45 | C52 | C48 | 179.9° | 179.7° |
| C44 | C45 | C48 | C49 | 178.2° | 180.0° |
| C44 | C45 | C48 | H48 | 1.8° | 0.0° |
| C44 | C45 | C52 | C51 | 179.5° | 179.8° |
| C44 | C45 | C52 | H52 | 0.5° | 0.0° |
| H44 | C44 | C45 | C52 | 114.6° | 149.7° |
| H44 | C44 | C45 | C48 | 65.5° | 30.0° |
| H44A | C44 | C45 | C52 | 125.4° | 29.7° |
| H44A | C44 | C45 | C48 | 54.5° | 150.0° |
| C52 | C45 | C48 | C49 | 1.8° | 0.3° |
| C52 | C45 | C48 | H48 | 178.2° | 179.7° |
| C45 | C52 | C51 | C50 | 0.7° | 0.5° |
| C45 | C52 | C51 | H52 | 180.0° | 179.7° |
| C45 | C52 | C51 | H51 | 179.3° | 179.7° |
| C45 | C48 | C49 | H48 | 180.0° | 179.9° |
| C45 | C48 | C49 | C50 | 1.9° | 0.0° |
| C45 | C48 | C49 | H49 | 178.1° | 180.0° |
| C48 | C45 | C52 | C51 | 0.5° | 0.5° |
| C48 | C45 | C52 | H52 | 179.5° | 179.7° |
| C48 | C49 | C50 | H49 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 0.6° | 0.0° |
| C48 | C49 | C50 | H50 | 179.4° | 180.0° |
| H48 | C48 | C49 | C50 | 178.1° | 180.0° |
| H48 | C48 | C49 | H49 | 1.9° | 0.0° |
| C49 | C50 | C51 | H50 | 180.0° | 180.0° |
| C49 | C50 | C51 | C52 | 0.7° | 0.3° |
| C49 | C50 | C51 | H51 | 179.3° | 180.0° |
| H49 | C49 | C50 | C51 | 179.4° | 180.0° |
| H49 | C49 | C50 | H50 | 0.6° | 0.0° |
| C50 | C51 | C52 | H51 | 180.0° | 179.8° |
| C50 | C51 | C52 | H52 | 179.3° | 179.7° |
| H50 | C50 | C51 | C52 | 179.3° | 179.7° |
| H50 | C50 | C51 | H51 | 0.7° | 0.1° |
| H51 | C51 | C52 | H52 | 0.8° | 0.1° |
| C64 | C62 | C68 | H62 | 119.8° | 120.0° |
| C62 | C64 | H64 | H64A | 120.0° | 120.1° |
| C62 | C64 | H64 | H64B | 120.0° | 119.9° |
| C62 | C64 | H64A | H64B | 120.0° | 120.0° |
| C64 | C62 | C68 | H68 | 61.7° | 180.0° |
| C64 | C62 | C68 | H68A | 58.2° | 60.0° |
| C64 | C62 | C68 | H68B | 178.2° | 60.0° |
| C68 | C62 | C64 | H64 | 59.2° | 64.6° |
| C68 | C62 | C64 | H64A | 179.2° | 55.5° |
| C68 | C62 | C64 | H64B | 60.7° | 175.5° |
| C62 | C68 | H68 | H68A | 120.0° | 119.9° |
| C62 | C68 | H68 | H68B | 120.0° | 120.1° |
| C62 | C68 | H68A | H68B | 120.0° | 120.0° |
| H62 | C62 | C64 | H64 | 58.0° | 175.4° |
| H62 | C62 | C64 | H64A | 62.0° | 64.5° |
| H62 | C62 | C64 | H64B | 177.9° | 55.5° |
| H62 | C62 | C68 | H68 | 58.1° | 59.9° |
| H62 | C62 | C68 | H68A | 178.0° | 60.0° |
| H62 | C62 | C68 | H68B | 61.9° | 180.0° |
| H64 | C64 | H64A | H64B | 120.0° | 120.0° |
| H68 | C68 | H68A | H68B | 119.9° | 120.0° |
| C95 | N74 | C75 | C77 | 111.5° | 90.0° |
| C95 | N74 | C75 | H75 | 8.5° | 30.0° |
| C95 | N74 | C75 | H75A | 128.5° | 150.0° |
| N74 | C95 | H95 | H95A | 120.0° | 120.1° |
| N74 | C95 | H95 | H95B | 120.0° | 120.0° |
| N74 | C95 | H95A | H95B | 120.0° | 120.0° |
| N74 | C75 | C77 | H75 | 120.0° | 120.0° |
| N74 | C75 | C77 | H75A | 120.0° | 120.1° |
| N74 | C75 | H75 | H75A | 119.5° | 120.1° |
| N74 | C75 | C77 | N83 | 42.4° | 85.3° |
| N74 | C75 | C77 | C80 | 137.2° | 95.0° |
| C75 | N74 | C95 | H95 | 0.8° | 90.0° |
| C75 | N74 | C95 | H95A | 119.2° | 30.1° |
| C75 | N74 | C95 | H95B | 120.8° | 150.0° |
| C77 | C75 | H75 | H75A | 119.6° | 120.0° |
| C75 | C77 | N83 | C80 | 179.7° | 179.8° |
| C75 | C77 | C80 | S81 | 179.8° | 180.0° |
| C75 | C77 | C80 | H80 | 0.2° | 0.1° |
| C75 | C77 | N83 | C82 | 180.0° | 179.7° |
| H75 | C75 | C77 | N83 | 77.6° | 154.7° |
| H75 | C75 | C77 | C80 | 102.8° | 25.0° |
| H75A | C75 | C77 | N83 | 162.4° | 34.8° |
| H75A | C75 | C77 | C80 | 17.2° | 145.0° |
| N83 | C77 | C80 | S81 | 0.1° | 0.3° |
| N83 | C77 | C80 | H80 | 179.9° | 179.7° |
| C77 | N83 | C82 | S81 | 0.4° | 0.5° |
| C77 | N83 | C82 | C85 | 180.0° | 179.8° |
| C77 | C80 | S81 | H80 | 180.0° | 179.9° |
| C77 | C80 | S81 | C82 | 0.1° | 0.0° |
| C80 | C77 | N83 | C82 | 0.3° | 0.5° |
| C80 | S81 | C82 | C85 | 180.0° | 180.0° |
| C80 | S81 | C82 | N83 | 0.3° | 0.3° |
| H80 | C80 | S81 | C82 | 179.9° | 180.0° |
| S81 | C82 | C85 | N83 | 179.6° | 179.6° |
| S81 | C82 | C85 | C86 | 28.0° | 60.0° |
| S81 | C82 | C85 | C90 | 151.9° | 60.0° |
| S81 | C82 | C85 | H85 | 88.3° | 180.0° |
| C82 | C85 | C86 | C90 | 124.3° | 120.0° |
| C82 | C85 | C86 | H85 | 115.9° | 120.0° |
| C82 | C85 | C90 | H85 | 116.3° | 120.1° |
| C82 | C85 | C86 | H86 | 180.0° | 60.0° |
| C82 | C85 | C86 | H86A | 60.0° | 180.0° |
| C82 | C85 | C86 | H86B | 60.0° | 60.0° |
| C82 | C85 | C90 | H90 | 180.0° | 60.0° |
| C82 | C85 | C90 | H90A | 60.0° | 179.9° |
| C82 | C85 | C90 | H90B | 60.0° | 60.0° |
| N83 | C82 | C85 | C86 | 152.4° | 120.3° |
| N83 | C82 | C85 | C90 | 28.5° | 119.6° |
| N83 | C82 | C85 | H85 | 91.3° | 0.4° |
| C86 | C85 | C90 | H85 | 116.8° | 120.0° |
| C85 | C86 | H86 | H86A | 120.0° | 120.0° |
| C85 | C86 | H86 | H86B | 120.0° | 120.0° |
| C85 | C86 | H86A | H86B | 120.0° | 120.1° |
| C86 | C85 | C90 | H90 | 53.1° | 180.0° |
| C86 | C85 | C90 | H90A | 173.1° | 59.9° |
| C86 | C85 | C90 | H90B | 66.9° | 60.0° |
| C90 | C85 | C86 | H86 | 55.7° | 60.0° |
| C90 | C85 | C86 | H86A | 64.2° | 59.9° |
| C90 | C85 | C86 | H86B | 175.7° | 180.0° |
| C85 | C90 | H90 | H90A | 120.0° | 120.1° |
| C85 | C90 | H90 | H90B | 120.0° | 119.9° |
| C85 | C90 | H90A | H90B | 120.0° | 120.0° |
| H85 | C85 | C86 | H86 | 64.1° | 180.0° |
| H85 | C85 | C86 | H86A | 175.9° | 60.0° |
| H85 | C85 | C86 | H86B | 55.9° | 60.0° |
| H85 | C85 | C90 | H90 | 63.7° | 60.1° |
| H85 | C85 | C90 | H90A | 56.3° | 60.0° |
| H85 | C85 | C90 | H90B | 176.3° | 180.0° |
| H86 | C86 | H86A | H86B | 120.0° | 120.0° |
| H90 | C90 | H90A | H90B | 120.0° | 120.0° |
| H95 | C95 | H95A | H95B | 120.0° | 119.9° |
