76J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| O22 | C21 | sing | 1.43Å | 1.41Å | |
| C5 | N6 | sing | 1.47Å | 1.48Å | |
| C21 | C16 | sing | 1.54Å | 1.54Å | |
| C21 | C19 | sing | 1.55Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C7 | sing | 1.53Å | 1.55Å | |
| N6 | C7 | sing | 1.47Å | 1.51Å | |
| C16 | O17 | sing | 1.44Å | 1.44Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C19 | C18 | sing | 1.55Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| N25 | C24 | doub | 1.30Å | 1.31Å | Aromatic |
| N25 | C26 | sing | 1.35Å | 1.38Å | Aromatic |
| N28 | C27 | sing | 1.38Å | 1.33Å | |
| C24 | N23 | sing | 1.36Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | C32 | sing | 1.41Å | 1.37Å | Aromatic |
| C27 | N29 | sing | 1.33Å | 1.36Å | Aromatic |
| N23 | C32 | sing | 1.37Å | 1.37Å | Aromatic |
| N23 | C18 | sing | 1.47Å | 1.47Å | |
| C32 | N31 | doub | 1.33Å | 1.35Å | Aromatic |
| N29 | C30 | doub | 1.32Å | 1.36Å | Aromatic |
| O17 | C18 | sing | 1.44Å | 1.43Å | |
| N31 | C30 | sing | 1.32Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | N11 | sing | 1.47Å | 1.49Å | |
| C10 | C12 | sing | 1.51Å | 1.54Å | |
| O13 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | O14 | sing | 1.34Å | 1.25Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H46 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C2 | H48 | sing | 1.09Å | 1.10Å | |
| C2 | H47 | sing | 1.09Å | 1.10Å | |
| C3 | H50 | sing | 1.09Å | 1.10Å | |
| C3 | H49 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C5 | H54 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C8 | H55 | sing | 1.09Å | 1.10Å | |
| C8 | H56 | sing | 1.09Å | 1.10Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H59 | sing | 1.09Å | 1.10Å | |
| C15 | H60 | sing | 1.09Å | 1.10Å | |
| C16 | H40 | sing | 1.09Å | 1.10Å | |
| C19 | H42 | sing | 1.09Å | 1.10Å | |
| C21 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H63 | sing | 1.08Å | 1.08Å | |
| C4 | H51 | sing | 1.09Å | 1.10Å | |
| C4 | H52 | sing | 1.09Å | 1.10Å | |
| N6 | H34 | sing | 1.01Å | 1.00Å | |
| N6 | H33 | sing | 1.01Å | 1.00Å | |
| C9 | H57 | sing | 1.09Å | 1.10Å | |
| C9 | H58 | sing | 1.09Å | 1.10Å | |
| N11 | H38 | sing | 1.01Å | 1.00Å | |
| N11 | H39 | sing | 1.01Å | 1.00Å | |
| N11 | H37 | sing | 1.01Å | 1.00Å | |
| O14 | H1 | sing | 0.97Å | 0.95Å | |
| C18 | H41 | sing | 1.09Å | 1.10Å | |
| O20 | H61 | sing | 0.97Å | 0.95Å | |
| O22 | H62 | sing | 0.97Å | 0.95Å | |
| N28 | H64 | sing | 0.97Å | 1.00Å | |
| N28 | H65 | sing | 0.97Å | 1.00Å | |
| C30 | H66 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 114.6° | 109.5° |
| C2 | C1 | H44 | 109.5° | 109.5° |
| C2 | C1 | H46 | 109.5° | 109.5° |
| C2 | C1 | H45 | 109.5° | 109.5° |
| C1 | C2 | H48 | 108.2° | 109.5° |
| C1 | C2 | H47 | 108.2° | 109.5° |
| C2 | C3 | C4 | 114.3° | 109.5° |
| C3 | C2 | H48 | 108.2° | 109.5° |
| C3 | C2 | H47 | 108.2° | 109.5° |
| C2 | C3 | H50 | 108.3° | 109.5° |
| C2 | C3 | H49 | 108.3° | 109.4° |
| C3 | C4 | C5 | 114.3° | 109.5° |
| C4 | C3 | H50 | 108.2° | 109.5° |
| C4 | C3 | H49 | 108.3° | 109.4° |
| C3 | C4 | H51 | 108.2° | 109.5° |
| C3 | C4 | H52 | 108.3° | 109.4° |
| C4 | C5 | N6 | 110.6° | 109.5° |
| C4 | C5 | H53 | 109.2° | 109.5° |
| C4 | C5 | H54 | 109.1° | 109.5° |
| C5 | C4 | H51 | 108.2° | 109.5° |
| C5 | C4 | H52 | 108.2° | 109.4° |
| O22 | C21 | C16 | 110.6° | 110.5° |
| O22 | C21 | C19 | 113.4° | 110.5° |
| O22 | C21 | H43 | 111.2° | 110.6° |
| C21 | O22 | H62 | 109.5° | 114.0° |
| C5 | N6 | C7 | 118.0° | 109.5° |
| N6 | C5 | H53 | 109.2° | 109.4° |
| N6 | C5 | H54 | 109.2° | 109.5° |
| C5 | N6 | H34 | 107.3° | 109.5° |
| C5 | N6 | H33 | 107.3° | 109.5° |
| C16 | C21 | C19 | 102.5° | 104.2° |
| C21 | C16 | C15 | 114.6° | 109.9° |
| C21 | C16 | O17 | 103.5° | 107.3° |
| C21 | C16 | H40 | 108.3° | 110.0° |
| C16 | C21 | H43 | 109.3° | 110.5° |
| C21 | C19 | O20 | 111.6° | 110.9° |
| C21 | C19 | C18 | 101.7° | 102.1° |
| C21 | C19 | H42 | 110.3° | 111.0° |
| C19 | C21 | H43 | 109.4° | 110.4° |
| C16 | C15 | C7 | 116.7° | 109.5° |
| C15 | C16 | O17 | 112.5° | 109.9° |
| C16 | C15 | H59 | 107.7° | 109.4° |
| C16 | C15 | H60 | 107.6° | 109.5° |
| C15 | C16 | H40 | 108.3° | 109.8° |
| C15 | C7 | N6 | 112.3° | 109.5° |
| C15 | C7 | C8 | 114.8° | 109.4° |
| C15 | C7 | H35 | 108.6° | 109.5° |
| C7 | C15 | H59 | 107.6° | 109.5° |
| C7 | C15 | H60 | 107.6° | 109.5° |
| N6 | C7 | C8 | 103.4° | 109.5° |
| N6 | C7 | H35 | 108.9° | 109.5° |
| C7 | N6 | H34 | 107.3° | 109.4° |
| C7 | N6 | H33 | 107.3° | 109.5° |
| C16 | O17 | C18 | 112.3° | 106.9° |
| O17 | C16 | H40 | 109.5° | 109.8° |
| O20 | C19 | C18 | 110.6° | 110.9° |
| O20 | C19 | H42 | 112.1° | 110.8° |
| C19 | O20 | H61 | 109.5° | 114.0° |
| C19 | C18 | N23 | 112.7° | 110.6° |
| C19 | C18 | O17 | 105.2° | 103.5° |
| C18 | C19 | H42 | 110.1° | 110.9° |
| C19 | C18 | H41 | 109.0° | 110.6° |
| C7 | C8 | C9 | 114.6° | 109.4° |
| C8 | C7 | H35 | 108.7° | 109.5° |
| C7 | C8 | H55 | 108.2° | 109.5° |
| C7 | C8 | H56 | 108.2° | 109.5° |
| C24 | N25 | C26 | 105.0° | 109.4° |
| N25 | C24 | N23 | 112.0° | 110.0° |
| N25 | C24 | H63 | 124.0° | 125.0° |
| N25 | C26 | C27 | 132.6° | 134.7° |
| N25 | C26 | C32 | 110.4° | 107.1° |
| N28 | C27 | C26 | 122.2° | 120.7° |
| N28 | C27 | N29 | 118.6° | 120.8° |
| C27 | N28 | H64 | 109.5° | 120.1° |
| C27 | N28 | H65 | 109.4° | 120.0° |
| C24 | N23 | C32 | 106.5° | 107.4° |
| C24 | N23 | C18 | 125.7° | 126.2° |
| N23 | C24 | H63 | 124.0° | 125.0° |
| C27 | C26 | C32 | 116.9° | 118.2° |
| C26 | C27 | N29 | 119.1° | 118.4° |
| C26 | C32 | N23 | 105.9° | 106.0° |
| C26 | C32 | N31 | 126.0° | 119.1° |
| C27 | N29 | C30 | 117.5° | 121.2° |
| C32 | N23 | C18 | 127.7° | 126.3° |
| N23 | C32 | N31 | 128.0° | 134.9° |
| N23 | C18 | O17 | 109.2° | 110.6° |
| N23 | C18 | H41 | 110.0° | 110.6° |
| C32 | N31 | C30 | 112.7° | 120.6° |
| N29 | C30 | N31 | 127.7° | 122.4° |
| N29 | C30 | H66 | 116.1° | 118.8° |
| O17 | C18 | H41 | 110.6° | 110.6° |
| N31 | C30 | H66 | 116.2° | 118.7° |
| C8 | C9 | C10 | 112.4° | 109.4° |
| C9 | C8 | H55 | 108.2° | 109.5° |
| C9 | C8 | H56 | 108.2° | 109.5° |
| C8 | C9 | H57 | 108.8° | 109.5° |
| C8 | C9 | H58 | 108.7° | 109.5° |
| C9 | C10 | N11 | 108.8° | 109.5° |
| C9 | C10 | C12 | 111.9° | 109.4° |
| C9 | C10 | H36 | 108.5° | 109.5° |
| C10 | C9 | H57 | 108.7° | 109.5° |
| C10 | C9 | H58 | 108.7° | 109.5° |
| N11 | C10 | C12 | 110.7° | 109.5° |
| N11 | C10 | H36 | 108.7° | 109.5° |
| C10 | N11 | H38 | 109.5° | 109.4° |
| C10 | N11 | H39 | 109.5° | 109.4° |
| C10 | N11 | H37 | 109.5° | 109.4° |
| C10 | C12 | O13 | 116.2° | 120.0° |
| C10 | C12 | O14 | 119.2° | 120.0° |
| C12 | C10 | H36 | 108.1° | 109.4° |
| O13 | C12 | O14 | 124.6° | 120.0° |
| C12 | O14 | H1 | 109.5° | 117.0° |
| H44 | C1 | H46 | 109.5° | 109.4° |
| H44 | C1 | H45 | 109.4° | 109.5° |
| H46 | C1 | H45 | 109.4° | 109.4° |
| H48 | C2 | H47 | 109.5° | 109.4° |
| H50 | C3 | H49 | 109.5° | 109.5° |
| H53 | C5 | H54 | 109.5° | 109.4° |
| H55 | C8 | H56 | 109.5° | 109.5° |
| H59 | C15 | H60 | 109.4° | 109.5° |
| H51 | C4 | H52 | 109.5° | 109.5° |
| H34 | N6 | H33 | 109.5° | 109.4° |
| H57 | C9 | H58 | 109.5° | 109.5° |
| H38 | N11 | H39 | 109.5° | 109.5° |
| H38 | N11 | H37 | 109.5° | 109.6° |
| H39 | N11 | H37 | 109.5° | 109.5° |
| H64 | N28 | H65 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H48 | 120.8° | 120.0° |
| C1 | C2 | C3 | H47 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 30.6° | 179.9° |
| C2 | C1 | H44 | H46 | 120.1° | 120.1° |
| C2 | C1 | H44 | H45 | 120.0° | 120.0° |
| C2 | C1 | H46 | H45 | 120.0° | 120.0° |
| C1 | C2 | H48 | H47 | 117.7° | 120.0° |
| C1 | C2 | C3 | H50 | 151.2° | 60.0° |
| C1 | C2 | C3 | H49 | 90.2° | 60.0° |
| C2 | C3 | C4 | H50 | 120.7° | 120.0° |
| C2 | C3 | C4 | H49 | 120.7° | 120.0° |
| C2 | C3 | C4 | C5 | 169.4° | 180.0° |
| C3 | C2 | C1 | H44 | 180.0° | 180.0° |
| C3 | C2 | C1 | H46 | 60.0° | 60.0° |
| C3 | C2 | C1 | H45 | 60.0° | 60.0° |
| C3 | C2 | H48 | H47 | 117.7° | 120.0° |
| C2 | C3 | H50 | H49 | 117.8° | 120.0° |
| C2 | C3 | C4 | H51 | 69.9° | 60.0° |
| C2 | C3 | C4 | H52 | 48.6° | 60.0° |
| C3 | C4 | C5 | H51 | 120.7° | 120.0° |
| C3 | C4 | C5 | H52 | 120.7° | 119.9° |
| C3 | C4 | C5 | N6 | 78.4° | 179.9° |
| C4 | C3 | C2 | H48 | 90.2° | 59.9° |
| C4 | C3 | C2 | H47 | 151.3° | 60.1° |
| C4 | C3 | H50 | H49 | 117.8° | 120.0° |
| C3 | C4 | C5 | H53 | 41.8° | 59.9° |
| C3 | C4 | C5 | H54 | 161.5° | 60.1° |
| C3 | C4 | H51 | H52 | 117.8° | 120.0° |
| C4 | C5 | N6 | H53 | 120.2° | 120.0° |
| C4 | C5 | N6 | H54 | 120.1° | 120.0° |
| C4 | C5 | N6 | C7 | 171.6° | 174.7° |
| C5 | C4 | C3 | H50 | 48.6° | 60.0° |
| C5 | C4 | C3 | H49 | 69.9° | 60.0° |
| C4 | C5 | H53 | H54 | 119.4° | 120.0° |
| C5 | C4 | H51 | H52 | 117.8° | 120.0° |
| C4 | C5 | N6 | H34 | 50.4° | 65.3° |
| C4 | C5 | N6 | H33 | 67.1° | 54.7° |
| O22 | C21 | C16 | C19 | 121.2° | 118.7° |
| O22 | C21 | C16 | H43 | 122.8° | 122.7° |
| O22 | C21 | C19 | H43 | 124.8° | 122.7° |
| O22 | C21 | C16 | C15 | 81.8° | 119.9° |
| O22 | C21 | C16 | O17 | 155.3° | 120.7° |
| O22 | C21 | C19 | O20 | 38.8° | 20.4° |
| O22 | C21 | C19 | C18 | 156.8° | 97.8° |
| O22 | C21 | C16 | H40 | 39.1° | 1.2° |
| O22 | C21 | C19 | H42 | 86.4° | 144.0° |
| C5 | N6 | C7 | C15 | 58.2° | 174.2° |
| C5 | N6 | C7 | H34 | 121.2° | 120.0° |
| C5 | N6 | C7 | H33 | 121.2° | 120.1° |
| C5 | N6 | C7 | C8 | 177.6° | 65.8° |
| N6 | C5 | H53 | H54 | 119.5° | 120.0° |
| C5 | N6 | C7 | H35 | 62.1° | 54.2° |
| N6 | C5 | C4 | H51 | 160.9° | 60.0° |
| N6 | C5 | C4 | H52 | 42.4° | 60.0° |
| C5 | N6 | H34 | H33 | 116.1° | 120.1° |
| C16 | C21 | C19 | H43 | 115.9° | 118.7° |
| C21 | C16 | C15 | O17 | 117.9° | 117.9° |
| C21 | C16 | C15 | H40 | 120.9° | 121.2° |
| C21 | C16 | C15 | C7 | 179.3° | 175.7° |
| C21 | C16 | O17 | H40 | 115.3° | 119.6° |
| C16 | C21 | C19 | O20 | 80.4° | 139.1° |
| C16 | C21 | C19 | C18 | 37.6° | 20.9° |
| C21 | C16 | O17 | C18 | 17.2° | 26.5° |
| C21 | C16 | C15 | H59 | 59.7° | 64.3° |
| C21 | C16 | C15 | H60 | 58.2° | 55.7° |
| C16 | C21 | C19 | H42 | 154.3° | 97.3° |
| C16 | C21 | O22 | H62 | 180.0° | 180.0° |
| C19 | C21 | C16 | C15 | 156.9° | 121.4° |
| C19 | C21 | C16 | O17 | 34.1° | 2.0° |
| C21 | C19 | O20 | C18 | 112.5° | 112.7° |
| C21 | C19 | O20 | H42 | 124.2° | 123.7° |
| C21 | C19 | C18 | H42 | 116.9° | 118.3° |
| C21 | C19 | C18 | N23 | 90.9° | 155.6° |
| C21 | C19 | C18 | O17 | 27.9° | 37.0° |
| C19 | C21 | C16 | H40 | 82.2° | 117.5° |
| C21 | C19 | C18 | H41 | 146.6° | 81.5° |
| C21 | C19 | O20 | H61 | 180.0° | 67.3° |
| C19 | C21 | O22 | H62 | 65.5° | 65.2° |
| C16 | C15 | C7 | H59 | 121.1° | 120.0° |
| C16 | C15 | C7 | H60 | 121.1° | 120.0° |
| C16 | C15 | C7 | N6 | 174.6° | 65.0° |
| C15 | C16 | O17 | H40 | 120.5° | 120.9° |
| C16 | C15 | C7 | C8 | 56.9° | 175.0° |
| C15 | C16 | O17 | C18 | 141.4° | 145.9° |
| C16 | C15 | C7 | H35 | 64.9° | 55.0° |
| C16 | C15 | H59 | H60 | 116.7° | 120.0° |
| C15 | C16 | C21 | H43 | 40.9° | 2.8° |
| C15 | C7 | N6 | C8 | 124.3° | 119.9° |
| C15 | C7 | N6 | H35 | 120.3° | 120.0° |
| C7 | C15 | C16 | O17 | 61.4° | 66.4° |
| C15 | C7 | C8 | H35 | 121.8° | 120.0° |
| C15 | C7 | C8 | C9 | 130.7° | 65.6° |
| C15 | C7 | C8 | H55 | 108.5° | 174.5° |
| C15 | C7 | C8 | H56 | 10.0° | 54.5° |
| C7 | C15 | H59 | H60 | 116.7° | 120.1° |
| C7 | C15 | C16 | H40 | 59.8° | 54.6° |
| C15 | C7 | N6 | H34 | 179.4° | 65.8° |
| C15 | C7 | N6 | H33 | 63.0° | 54.1° |
| N6 | C7 | C8 | H35 | 115.6° | 120.0° |
| N6 | C7 | C8 | C9 | 106.7° | 174.5° |
| C7 | N6 | C5 | H53 | 68.2° | 54.7° |
| C7 | N6 | C5 | H54 | 51.5° | 65.2° |
| N6 | C7 | C8 | H55 | 14.1° | 54.5° |
| N6 | C7 | C8 | H56 | 132.6° | 65.5° |
| N6 | C7 | C15 | H59 | 64.4° | 175.0° |
| N6 | C7 | C15 | H60 | 53.5° | 55.0° |
| C7 | N6 | H34 | H33 | 116.2° | 120.0° |
| C16 | O17 | C18 | C19 | 6.9° | 40.0° |
| C16 | O17 | C18 | N23 | 114.3° | 158.6° |
| O17 | C16 | C15 | H59 | 177.6° | 53.6° |
| O17 | C16 | C15 | H60 | 59.7° | 173.6° |
| O17 | C16 | C21 | H43 | 81.9° | 116.6° |
| C16 | O17 | C18 | H41 | 124.5° | 78.5° |
| O20 | C19 | C18 | H42 | 124.5° | 123.6° |
| O20 | C19 | C18 | N23 | 150.4° | 86.2° |
| O20 | C19 | C18 | O17 | 90.7° | 155.2° |
| O20 | C19 | C21 | H43 | 163.6° | 102.3° |
| O20 | C19 | C18 | H41 | 28.0° | 36.7° |
| C19 | C18 | N23 | C24 | 107.7° | 90.6° |
| C19 | C18 | N23 | C32 | 67.0° | 89.5° |
| C19 | C18 | N23 | O17 | 116.5° | 114.1° |
| C19 | C18 | N23 | H41 | 121.9° | 122.9° |
| C19 | C18 | O17 | H41 | 117.6° | 118.5° |
| C18 | C19 | C21 | H43 | 78.4° | 139.6° |
| C18 | C19 | O20 | H61 | 67.5° | 180.0° |
| C7 | C8 | C9 | H55 | 120.8° | 120.0° |
| C7 | C8 | C9 | H56 | 120.7° | 120.0° |
| C7 | C8 | C9 | C10 | 99.4° | 175.0° |
| C7 | C8 | H55 | H56 | 117.7° | 120.0° |
| C8 | C7 | C15 | H59 | 178.0° | 55.1° |
| C8 | C7 | C15 | H60 | 64.2° | 65.0° |
| C8 | C7 | N6 | H34 | 56.4° | 54.1° |
| C8 | C7 | N6 | H33 | 61.2° | 174.1° |
| C7 | C8 | C9 | H57 | 21.0° | 65.0° |
| C7 | C8 | C9 | H58 | 140.1° | 55.0° |
| N25 | C24 | N23 | H63 | 180.0° | 179.8° |
| C24 | N25 | C26 | C27 | 179.1° | 179.8° |
| C24 | N25 | C26 | C32 | 1.5° | 0.3° |
| N25 | C24 | N23 | C32 | 2.0° | 0.2° |
| N25 | C24 | N23 | C18 | 177.6° | 179.8° |
| N25 | C26 | C27 | N28 | 0.1° | 0.6° |
| C26 | N25 | C24 | N23 | 0.3° | 0.0° |
| N25 | C26 | C27 | C32 | 177.5° | 179.4° |
| N25 | C26 | C27 | N29 | 178.1° | 179.4° |
| N25 | C26 | C32 | N23 | 2.8° | 0.4° |
| N25 | C26 | C32 | N31 | 178.7° | 179.9° |
| C26 | N25 | C24 | H63 | 179.7° | 179.8° |
| N28 | C27 | C26 | N29 | 178.2° | 180.0° |
| N28 | C27 | C26 | C32 | 177.6° | 180.0° |
| N28 | C27 | N29 | C30 | 178.5° | 180.0° |
| C27 | N28 | H64 | H65 | 120.0° | 179.9° |
| C24 | N23 | C32 | C26 | 2.8° | 0.4° |
| C24 | N23 | C32 | C18 | 175.5° | 180.0° |
| C24 | N23 | C32 | N31 | 178.6° | 180.0° |
| C24 | N23 | C18 | O17 | 8.9° | 23.6° |
| C24 | N23 | C18 | H41 | 130.4° | 146.5° |
| C27 | C26 | C32 | N23 | 179.2° | 180.0° |
| C27 | C26 | C32 | N31 | 0.7° | 0.3° |
| C26 | C27 | N29 | C30 | 0.3° | 0.0° |
| C26 | C27 | N28 | H64 | 178.2° | 0.0° |
| C26 | C27 | N28 | H65 | 61.8° | 180.0° |
| C32 | C26 | C27 | N29 | 0.6° | 0.0° |
| C26 | C32 | N23 | N31 | 178.5° | 179.6° |
| C26 | C32 | N23 | C18 | 178.3° | 179.6° |
| C26 | C32 | N31 | C30 | 0.2° | 0.7° |
| C27 | N29 | C30 | N31 | 1.3° | 0.3° |
| N29 | C27 | N28 | H64 | 0.0° | 180.0° |
| N29 | C27 | N28 | H65 | 120.0° | 0.0° |
| C27 | N29 | C30 | H66 | 178.7° | 179.9° |
| C32 | N23 | C18 | O17 | 176.5° | 156.4° |
| N23 | C32 | N31 | C30 | 178.1° | 179.8° |
| C32 | N23 | C24 | H63 | 177.9° | 180.0° |
| C32 | N23 | C18 | H41 | 54.9° | 33.5° |
| C18 | N23 | C32 | N31 | 3.2° | 0.0° |
| N23 | C18 | O17 | H41 | 121.2° | 122.9° |
| N23 | C18 | C19 | H42 | 26.0° | 37.3° |
| C18 | N23 | C24 | H63 | 2.4° | 0.0° |
| C32 | N31 | C30 | N29 | 1.2° | 0.7° |
| C32 | N31 | C30 | H66 | 178.8° | 179.7° |
| N29 | C30 | N31 | H66 | 180.0° | 179.6° |
| C18 | O17 | C16 | H40 | 98.2° | 93.1° |
| O17 | C18 | C19 | H42 | 144.8° | 81.2° |
| C8 | C9 | C10 | H57 | 120.5° | 120.0° |
| C8 | C9 | C10 | H58 | 120.4° | 120.0° |
| C8 | C9 | C10 | N11 | 64.4° | 65.0° |
| C8 | C9 | C10 | C12 | 172.9° | 175.0° |
| C9 | C8 | C7 | H35 | 9.0° | 54.5° |
| C9 | C8 | H55 | H56 | 117.7° | 120.0° |
| C8 | C9 | C10 | H36 | 53.7° | 55.1° |
| C8 | C9 | H57 | H58 | 118.6° | 120.0° |
| C9 | C10 | N11 | C12 | 123.4° | 120.0° |
| C9 | C10 | N11 | H36 | 118.0° | 120.0° |
| C9 | C10 | C12 | H36 | 119.4° | 119.9° |
| C9 | C10 | C12 | O13 | 34.7° | 100.0° |
| C9 | C10 | C12 | O14 | 145.7° | 80.0° |
| C10 | C9 | C8 | H55 | 139.8° | 55.0° |
| C10 | C9 | C8 | H56 | 21.3° | 65.0° |
| C10 | C9 | H57 | H58 | 118.6° | 120.0° |
| C9 | C10 | N11 | H38 | 180.0° | 180.0° |
| C9 | C10 | N11 | H39 | 60.0° | 60.0° |
| C9 | C10 | N11 | H37 | 60.0° | 60.0° |
| N11 | C10 | C12 | H36 | 119.0° | 120.0° |
| N11 | C10 | C12 | O13 | 156.3° | 20.0° |
| N11 | C10 | C12 | O14 | 24.1° | 160.0° |
| N11 | C10 | C9 | H57 | 175.1° | 175.0° |
| N11 | C10 | C9 | H58 | 56.0° | 54.9° |
| C10 | N11 | H38 | H39 | 120.0° | 119.9° |
| C10 | N11 | H38 | H37 | 120.0° | 120.0° |
| C10 | N11 | H39 | H37 | 120.0° | 119.9° |
| C10 | C12 | O13 | O14 | 179.6° | 180.0° |
| C12 | C10 | C9 | H57 | 52.4° | 55.0° |
| C12 | C10 | C9 | H58 | 66.7° | 65.0° |
| C12 | C10 | N11 | H38 | 56.6° | 60.0° |
| C12 | C10 | N11 | H39 | 63.4° | 60.0° |
| C12 | C10 | N11 | H37 | 176.6° | 179.9° |
| C10 | C12 | O14 | H1 | 179.6° | 180.0° |
| O13 | C12 | C10 | H36 | 84.7° | 140.0° |
| O13 | C12 | O14 | H1 | 0.0° | 0.0° |
| O14 | C12 | C10 | H36 | 94.9° | 39.9° |
| H44 | C1 | H46 | H45 | 119.9° | 120.0° |
| H44 | C1 | C2 | H48 | 59.3° | 59.9° |
| H44 | C1 | C2 | H47 | 59.2° | 60.0° |
| H46 | C1 | C2 | H48 | 60.8° | 60.1° |
| H46 | C1 | C2 | H47 | 179.3° | 180.0° |
| H45 | C1 | C2 | H48 | 179.2° | 180.0° |
| H45 | C1 | C2 | H47 | 60.7° | 60.1° |
| H48 | C2 | C3 | H50 | 30.5° | 180.0° |
| H48 | C2 | C3 | H49 | 149.1° | 60.0° |
| H47 | C2 | C3 | H50 | 88.0° | 60.0° |
| H47 | C2 | C3 | H49 | 30.6° | 180.0° |
| H50 | C3 | C4 | H51 | 169.4° | NaN° |
| H50 | C3 | C4 | H52 | 72.1° | 60.0° |
| H49 | C3 | C4 | H51 | 50.8° | 60.0° |
| H49 | C3 | C4 | H52 | 169.4° | NaN° |
| H53 | C5 | C4 | H51 | 78.9° | 180.0° |
| H53 | C5 | C4 | H52 | 162.6° | 60.0° |
| H53 | C5 | N6 | H34 | 170.6° | 174.7° |
| H53 | C5 | N6 | H33 | 53.0° | 65.3° |
| H54 | C5 | C4 | H51 | 40.8° | 60.0° |
| H54 | C5 | C4 | H52 | 77.8° | 180.0° |
| H54 | C5 | N6 | H34 | 69.7° | 54.7° |
| H54 | C5 | N6 | H33 | 172.7° | 174.7° |
| H35 | C7 | C8 | H55 | 129.7° | 65.5° |
| H35 | C7 | C8 | H56 | 111.8° | 174.5° |
| H35 | C7 | C15 | H59 | 56.1° | 65.0° |
| H35 | C7 | C15 | H60 | 174.0° | 175.0° |
| H35 | C7 | N6 | H34 | 59.1° | 174.2° |
| H35 | C7 | N6 | H33 | 176.7° | 65.9° |
| H55 | C8 | C9 | H57 | 99.8° | 175.0° |
| H55 | C8 | C9 | H58 | 19.3° | 64.9° |
| H56 | C8 | C9 | H57 | 141.7° | 55.0° |
| H56 | C8 | C9 | H58 | 99.1° | 175.0° |
| H36 | C10 | C9 | H57 | 66.8° | 64.9° |
| H36 | C10 | C9 | H58 | 174.1° | 175.0° |
| H36 | C10 | N11 | H38 | 62.0° | 60.0° |
| H36 | C10 | N11 | H39 | 178.0° | 180.0° |
| H36 | C10 | N11 | H37 | 58.0° | 60.1° |
| H59 | C15 | C16 | H40 | 61.2° | 174.5° |
| H60 | C15 | C16 | H40 | 179.1° | 65.5° |
| H40 | C16 | C21 | H43 | 161.9° | 123.9° |
| H42 | C19 | C21 | H43 | 38.4° | 21.3° |
| H42 | C19 | C18 | H41 | 96.5° | 160.3° |
| H42 | C19 | O20 | H61 | 55.8° | 56.4° |
| H43 | C21 | O22 | H62 | 58.3° | 57.4° |
| H38 | N11 | H39 | H37 | 120.0° | 120.1° |
