J70
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C6 | sing | 1.51Å | 1.60Å | |
| C2 | N3 | sing | 1.47Å | 1.49Å | |
| C6 | N4 | sing | 1.47Å | 1.49Å | |
| N3 | C5 | sing | 1.47Å | 1.35Å | |
| N3 | PT1 | sing | 2.02Å | 1.94Å | |
| C5 | C1 | sing | 1.51Å | 1.57Å | |
| N4 | PT1 | sing | 2.04Å | 2.06Å | |
| PT1 | N7 | sing | 2.04Å | 2.01Å | |
| PT1 | N32 | sing | 2.05Å | 2.07Å | |
| N7 | C1 | sing | 1.47Å | 1.59Å | |
| C31 | N32 | doub | 1.34Å | 1.37Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| N32 | C33 | sing | 1.33Å | 1.37Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C35 | sing | 1.51Å | 1.52Å | |
| C35 | N23 | sing | 1.49Å | 1.51Å | |
| O25 | C22 | doub | 1.23Å | 1.24Å | |
| N23 | C22 | sing | 1.41Å | 1.41Å | |
| N23 | C24 | sing | 1.41Å | 1.41Å | |
| O26 | C24 | doub | 1.23Å | 1.24Å | |
| C22 | C10 | sing | 1.48Å | 1.49Å | |
| C24 | C15 | sing | 1.48Å | 1.50Å | |
| C10 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.43Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C18 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C21 | sing | 1.48Å | 1.49Å | |
| C18 | C19 | sing | 1.48Å | 1.49Å | |
| C21 | O27 | doub | 1.23Å | 1.24Å | |
| C21 | N20 | sing | 1.37Å | 1.36Å | |
| C19 | N20 | sing | 1.37Å | 1.36Å | |
| C19 | O28 | doub | 1.23Å | 1.23Å | |
| N20 | H73 | sing | 0.88Å | 1.00Å | |
| C9 | H49 | sing | 0.94Å | 1.08Å | |
| C14 | H50 | sing | 0.94Å | 1.08Å | |
| C16 | H71 | sing | 0.94Å | 1.08Å | |
| C17 | H72 | sing | 0.94Å | 1.08Å | |
| C35 | H59 | sing | 0.98Å | 1.10Å | |
| C35 | H58 | sing | 0.98Å | 1.10Å | |
| C30 | H54 | sing | 0.94Å | 1.08Å | |
| C31 | H55 | sing | 0.94Å | 1.08Å | |
| C33 | H56 | sing | 0.94Å | 1.08Å | |
| C34 | H57 | sing | 0.94Å | 1.08Å | |
| C2 | H39 | sing | 0.98Å | 1.10Å | |
| C2 | H38 | sing | 0.98Å | 1.10Å | |
| C6 | H45 | sing | 0.98Å | 1.10Å | |
| C6 | H46 | sing | 0.98Å | 1.10Å | |
| N4 | H42 | sing | 0.88Å | 1.00Å | |
| C5 | H43 | sing | 0.98Å | 1.10Å | |
| C5 | H44 | sing | 0.98Å | 1.10Å | |
| C1 | H36 | sing | 0.98Å | 1.10Å | |
| C1 | H37 | sing | 0.98Å | 1.10Å | |
| N7 | H48 | sing | 0.88Å | 1.00Å | |
| N3 | H40 | sing | 0.93Å | 1.00Å | |
| N4 | H41 | sing | 0.88Å | 1.00Å | |
| N7 | H47 | sing | 0.88Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C2 | N3 | 112.5° | 109.1° |
| C2 | C6 | N4 | 110.6° | 109.4° |
| C6 | C2 | H39 | 108.7° | 110.2° |
| C6 | C2 | H38 | 108.7° | 109.1° |
| C2 | C6 | H45 | 109.2° | 109.8° |
| C2 | C6 | H46 | 109.2° | 109.8° |
| C2 | N3 | C5 | 119.2° | 117.6° |
| C2 | N3 | PT1 | 113.9° | 106.3° |
| N3 | C2 | H39 | 108.7° | 109.8° |
| N3 | C2 | H38 | 108.7° | 110.2° |
| C2 | N3 | H40 | 100.1° | 108.1° |
| C6 | N4 | PT1 | 111.8° | 109.4° |
| N4 | C6 | H45 | 109.2° | 109.7° |
| N4 | C6 | H46 | 109.2° | 109.7° |
| C6 | N4 | H42 | 108.9° | 110.7° |
| C6 | N4 | H41 | 108.9° | 108.2° |
| C5 | N3 | PT1 | 118.4° | 106.1° |
| N3 | C5 | C1 | 104.1° | 109.4° |
| N3 | C5 | H43 | 110.8° | 109.7° |
| N3 | C5 | H44 | 110.8° | 110.3° |
| C5 | N3 | H40 | 101.2° | 108.0° |
| N3 | PT1 | N4 | 84.6° | 84.9° |
| N3 | PT1 | N7 | 83.8° | 85.5° |
| N3 | PT1 | N32 | 179.5° | 179.6° |
| PT1 | N3 | H40 | 97.8° | 110.6° |
| C5 | C1 | N7 | 117.6° | 110.1° |
| C1 | C5 | H43 | 110.8° | 110.0° |
| C1 | C5 | H44 | 110.8° | 109.1° |
| C5 | C1 | H36 | 107.4° | 109.7° |
| C5 | C1 | H37 | 107.4° | 109.7° |
| N4 | PT1 | N7 | 159.7° | 167.3° |
| N4 | PT1 | N32 | 95.8° | 95.1° |
| PT1 | N4 | H42 | 108.9° | 113.9° |
| PT1 | N4 | H41 | 108.9° | 107.7° |
| N7 | PT1 | N32 | 95.9° | 94.6° |
| PT1 | N7 | C1 | 101.4° | 108.7° |
| PT1 | N7 | H48 | 111.4° | 104.7° |
| PT1 | N7 | H47 | 111.5° | 114.3° |
| PT1 | N32 | C31 | 121.3° | 121.7° |
| PT1 | N32 | C33 | 122.1° | 122.2° |
| N7 | C1 | H36 | 107.4° | 109.4° |
| N7 | C1 | H37 | 107.4° | 109.5° |
| C1 | N7 | H48 | 111.5° | 110.3° |
| C1 | N7 | H47 | 111.4° | 109.8° |
| N32 | C31 | C30 | 123.4° | 123.9° |
| C31 | N32 | C33 | 116.6° | 116.1° |
| N32 | C31 | H55 | 118.3° | 118.0° |
| C31 | C30 | C29 | 119.3° | 119.5° |
| C31 | C30 | H54 | 120.4° | 120.2° |
| C30 | C31 | H55 | 118.3° | 118.1° |
| N32 | C33 | C34 | 123.3° | 124.0° |
| N32 | C33 | H56 | 118.3° | 118.0° |
| C30 | C29 | C34 | 118.4° | 117.0° |
| C30 | C29 | C35 | 119.9° | 122.2° |
| C29 | C30 | H54 | 120.4° | 120.3° |
| C33 | C34 | C29 | 119.0° | 119.5° |
| C34 | C33 | H56 | 118.4° | 118.0° |
| C33 | C34 | H57 | 120.5° | 120.1° |
| C34 | C29 | C35 | 121.7° | 120.8° |
| C29 | C34 | H57 | 120.5° | 120.4° |
| C29 | C35 | N23 | 115.3° | 113.2° |
| C29 | C35 | H59 | 108.0° | 109.1° |
| C29 | C35 | H58 | 108.0° | 109.6° |
| C35 | N23 | C22 | 117.5° | 118.6° |
| C35 | N23 | C24 | 117.3° | 118.0° |
| N23 | C35 | H59 | 108.0° | 110.0° |
| N23 | C35 | H58 | 108.0° | 109.6° |
| O25 | C22 | N23 | 123.7° | 120.7° |
| O25 | C22 | C10 | 119.9° | 121.6° |
| C22 | N23 | C24 | 125.2° | 123.4° |
| N23 | C22 | C10 | 116.5° | 117.7° |
| N23 | C24 | O26 | 123.6° | 120.5° |
| N23 | C24 | C15 | 116.2° | 117.7° |
| O26 | C24 | C15 | 120.2° | 121.8° |
| C22 | C10 | C9 | 119.5° | 120.4° |
| C22 | C10 | C11 | 121.0° | 120.4° |
| C24 | C15 | C11 | 120.9° | 120.4° |
| C24 | C15 | C16 | 119.7° | 120.4° |
| C9 | C10 | C11 | 119.5° | 119.3° |
| C10 | C9 | C14 | 120.4° | 120.9° |
| C10 | C9 | H49 | 119.8° | 119.9° |
| C10 | C11 | C15 | 120.2° | 120.6° |
| C10 | C11 | C12 | 119.8° | 119.7° |
| C11 | C15 | C16 | 119.4° | 119.2° |
| C15 | C11 | C12 | 120.0° | 119.7° |
| C15 | C16 | C17 | 120.4° | 120.9° |
| C15 | C16 | H71 | 119.8° | 119.9° |
| C9 | C14 | C13 | 120.3° | 120.7° |
| C14 | C9 | H49 | 119.8° | 119.2° |
| C9 | C14 | H50 | 119.9° | 119.4° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C11 | C12 | C18 | 120.1° | 120.1° |
| C16 | C17 | C18 | 120.3° | 120.7° |
| C17 | C16 | H71 | 119.8° | 119.2° |
| C16 | C17 | H72 | 119.8° | 119.4° |
| C14 | C13 | C12 | 119.9° | 119.4° |
| C14 | C13 | C21 | 119.8° | 121.2° |
| C13 | C14 | H50 | 119.8° | 119.9° |
| C13 | C12 | C18 | 119.8° | 119.9° |
| C12 | C13 | C21 | 120.3° | 119.4° |
| C12 | C18 | C17 | 119.8° | 119.4° |
| C12 | C18 | C19 | 120.2° | 119.4° |
| C17 | C18 | C19 | 120.0° | 121.2° |
| C18 | C17 | H72 | 119.9° | 119.9° |
| C13 | C21 | O27 | 120.9° | 121.9° |
| C13 | C21 | N20 | 116.2° | 119.6° |
| C18 | C19 | N20 | 116.3° | 119.6° |
| C18 | C19 | O28 | 120.9° | 121.9° |
| O27 | C21 | N20 | 122.9° | 118.4° |
| C21 | N20 | C19 | 127.2° | 122.1° |
| C21 | N20 | H73 | 116.4° | 118.9° |
| N20 | C19 | O28 | 122.8° | 118.5° |
| C19 | N20 | H73 | 116.4° | 119.0° |
| H59 | C35 | H58 | 109.5° | 105.0° |
| H39 | C2 | H38 | 109.4° | 108.3° |
| H45 | C6 | H46 | 109.5° | 108.4° |
| H42 | N4 | H41 | 109.5° | 106.8° |
| H43 | C5 | H44 | 109.5° | 108.2° |
| H36 | C1 | H37 | 109.4° | 108.3° |
| H48 | N7 | H47 | 109.4° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C2 | N3 | H39 | 120.5° | 120.9° |
| C6 | C2 | N3 | H38 | 120.5° | 119.8° |
| C2 | C6 | N4 | H45 | 120.2° | 120.5° |
| C2 | C6 | N4 | H46 | 120.2° | 120.5° |
| C6 | C2 | N3 | C5 | 126.6° | 163.4° |
| C6 | C2 | N3 | PT1 | 21.1° | 44.9° |
| C2 | C6 | N4 | PT1 | 14.2° | 28.4° |
| C6 | C2 | H39 | H38 | 118.6° | 119.3° |
| C2 | C6 | H45 | H46 | 119.4° | 119.9° |
| C2 | C6 | N4 | H42 | 134.6° | 154.7° |
| C6 | C2 | N3 | H40 | 124.3° | 73.9° |
| C2 | C6 | N4 | H41 | 106.1° | 88.6° |
| N3 | C2 | C6 | N4 | 3.5° | 49.4° |
| C2 | N3 | C5 | PT1 | 146.2° | 118.7° |
| C2 | N3 | C5 | H40 | 108.5° | 122.7° |
| C2 | N3 | PT1 | H40 | 104.8° | 117.1° |
| C2 | N3 | C5 | C1 | 177.0° | 162.8° |
| C2 | N3 | PT1 | N4 | 23.5° | 23.0° |
| C2 | N3 | PT1 | N7 | 173.3° | 148.6° |
| C2 | N3 | PT1 | N32 | 121.9° | 113.3° |
| N3 | C2 | H39 | H38 | 118.6° | 120.4° |
| N3 | C2 | C6 | H45 | 123.7° | 169.8° |
| N3 | C2 | C6 | H46 | 116.7° | 71.1° |
| C2 | N3 | C5 | H43 | 57.8° | 76.4° |
| C2 | N3 | C5 | H44 | 63.9° | 42.7° |
| C6 | N4 | PT1 | N3 | 21.2° | 3.1° |
| C6 | N4 | PT1 | H42 | 120.4° | 124.4° |
| C6 | N4 | PT1 | H41 | 120.3° | 117.3° |
| C6 | N4 | PT1 | N7 | 76.7° | 44.4° |
| C6 | N4 | PT1 | N32 | 158.5° | 176.4° |
| N4 | C6 | C2 | H39 | 123.9° | 170.1° |
| N4 | C6 | C2 | H38 | 117.0° | 71.1° |
| N4 | C6 | H45 | H46 | 119.5° | 119.8° |
| C6 | N4 | H42 | H41 | 118.9° | 117.5° |
| C5 | N3 | PT1 | H40 | 107.3° | 116.9° |
| N3 | C5 | C1 | H43 | 119.2° | 120.6° |
| N3 | C5 | C1 | H44 | 119.2° | 120.8° |
| C5 | N3 | PT1 | N4 | 124.4° | 149.0° |
| C5 | N3 | PT1 | N7 | 38.8° | 22.6° |
| C5 | N3 | PT1 | N32 | 90.1° | 120.7° |
| N3 | C5 | C1 | N7 | 3.2° | 49.0° |
| C5 | N3 | C2 | H39 | 6.1° | 75.6° |
| C5 | N3 | C2 | H38 | 112.9° | 43.7° |
| N3 | C5 | H43 | H44 | 122.5° | 120.4° |
| N3 | C5 | C1 | H36 | 124.3° | 71.6° |
| N3 | C5 | C1 | H37 | 118.0° | 169.6° |
| PT1 | N3 | C5 | C1 | 30.8° | 44.1° |
| N3 | PT1 | N4 | N7 | 55.6° | 41.3° |
| N3 | PT1 | N4 | N32 | 179.7° | 179.5° |
| N3 | PT1 | N7 | N32 | 179.6° | 179.6° |
| N3 | PT1 | N7 | C1 | 28.3° | 3.0° |
| N3 | PT1 | N32 | C31 | 12.1° | 55.7° |
| N3 | PT1 | N32 | C33 | 168.1° | 125.6° |
| PT1 | N3 | C2 | H39 | 141.5° | 165.8° |
| PT1 | N3 | C2 | H38 | 99.4° | 74.9° |
| N3 | PT1 | N4 | H42 | 141.6° | 127.5° |
| PT1 | N3 | C5 | H43 | 88.4° | 164.9° |
| PT1 | N3 | C5 | H44 | 149.9° | 76.0° |
| N3 | PT1 | N7 | H48 | 90.4° | 114.8° |
| N3 | PT1 | N4 | H41 | 99.1° | 114.2° |
| N3 | PT1 | N7 | H47 | 147.0° | 126.1° |
| C5 | C1 | N7 | PT1 | 21.7° | 28.1° |
| C5 | C1 | N7 | H36 | 121.2° | 120.7° |
| C5 | C1 | N7 | H37 | 121.2° | 120.8° |
| C1 | C5 | H43 | H44 | 122.5° | 119.2° |
| C5 | C1 | H36 | H37 | 116.3° | 119.8° |
| C5 | C1 | N7 | H48 | 97.0° | 86.1° |
| C1 | C5 | N3 | H40 | 74.6° | 74.6° |
| C5 | C1 | N7 | H47 | 140.4° | 153.8° |
| N4 | PT1 | N7 | N32 | 124.7° | 139.2° |
| N4 | PT1 | N7 | C1 | 27.4° | 44.3° |
| N4 | PT1 | N32 | C31 | 157.5° | 145.9° |
| N4 | PT1 | N32 | C33 | 22.7° | 35.3° |
| PT1 | N4 | C6 | H45 | 106.0° | 148.9° |
| PT1 | N4 | C6 | H46 | 134.4° | 92.1° |
| PT1 | N4 | H42 | H41 | 118.9° | 118.7° |
| N4 | PT1 | N7 | H48 | 146.1° | 73.6° |
| N4 | PT1 | N3 | H40 | 128.3° | 94.1° |
| N4 | PT1 | N7 | H47 | 91.3° | 167.3° |
| PT1 | N7 | C1 | H48 | 118.7° | 114.2° |
| PT1 | N7 | C1 | H47 | 118.7° | 125.7° |
| N7 | PT1 | N32 | C31 | 39.2° | 42.4° |
| N7 | PT1 | N32 | C33 | 140.6° | 136.4° |
| N7 | PT1 | N4 | H42 | 162.9° | 168.8° |
| PT1 | N7 | C1 | H36 | 99.5° | 92.6° |
| PT1 | N7 | C1 | H37 | 142.9° | 148.9° |
| PT1 | N7 | H48 | H47 | 123.8° | 122.6° |
| N7 | PT1 | N3 | H40 | 68.5° | 94.3° |
| N7 | PT1 | N4 | H41 | 43.6° | 73.0° |
| N32 | PT1 | N7 | C1 | 152.1° | 176.5° |
| PT1 | N32 | C31 | C33 | 179.8° | 178.8° |
| PT1 | N32 | C31 | C30 | 179.8° | 178.5° |
| PT1 | N32 | C33 | C34 | 179.8° | 178.6° |
| PT1 | N32 | C31 | H55 | 0.3° | 1.3° |
| PT1 | N32 | C33 | H56 | 0.2° | 1.2° |
| N32 | PT1 | N4 | H42 | 38.2° | 52.0° |
| N32 | PT1 | N7 | H48 | 89.2° | 65.7° |
| N32 | PT1 | N3 | H40 | 17.2° | 3.8° |
| N32 | PT1 | N4 | H41 | 81.1° | 66.2° |
| N32 | PT1 | N7 | H47 | 33.4° | 53.5° |
| N7 | C1 | C5 | H43 | 116.0° | 169.6° |
| N7 | C1 | C5 | H44 | 122.3° | 71.8° |
| N7 | C1 | H36 | H37 | 116.3° | 119.3° |
| C1 | N7 | H48 | H47 | 123.7° | 120.6° |
| N32 | C31 | C30 | H55 | 180.0° | 179.8° |
| N32 | C31 | C30 | C29 | 0.1° | 0.2° |
| C31 | N32 | C33 | C34 | 0.0° | 0.1° |
| N32 | C31 | C30 | H54 | 179.9° | 179.9° |
| C31 | N32 | C33 | H56 | 180.0° | 180.0° |
| C30 | C31 | N32 | C33 | 0.1° | 0.3° |
| C31 | C30 | C29 | H54 | 180.0° | 179.8° |
| C31 | C30 | C29 | C34 | 0.0° | 0.0° |
| C31 | C30 | C29 | C35 | 179.6° | 179.9° |
| N32 | C33 | C34 | H56 | 180.0° | 179.8° |
| N32 | C33 | C34 | C29 | 0.0° | 0.1° |
| C33 | N32 | C31 | H55 | 179.9° | 179.9° |
| N32 | C33 | C34 | H57 | 180.0° | 179.9° |
| C30 | C29 | C34 | C33 | 0.0° | 0.2° |
| C30 | C29 | C34 | C35 | 179.6° | 179.9° |
| C30 | C29 | C35 | N23 | 120.0° | 109.1° |
| C30 | C29 | C35 | H59 | 0.8° | 128.1° |
| C30 | C29 | C35 | H58 | 119.1° | 13.6° |
| C29 | C30 | C31 | H55 | 179.9° | 180.0° |
| C30 | C29 | C34 | H57 | 180.0° | 180.0° |
| C33 | C34 | C29 | H57 | 180.0° | 179.8° |
| C33 | C34 | C29 | C35 | 179.6° | 180.0° |
| C34 | C29 | C35 | N23 | 59.6° | 71.1° |
| C34 | C29 | C35 | H59 | 179.6° | 51.8° |
| C34 | C29 | C35 | H58 | 61.3° | 166.2° |
| C34 | C29 | C30 | H54 | 179.9° | 179.8° |
| C29 | C34 | C33 | H56 | 180.0° | 179.8° |
| C29 | C35 | N23 | H59 | 120.9° | 122.4° |
| C29 | C35 | N23 | H58 | 120.8° | 122.7° |
| C29 | C35 | N23 | C22 | 90.1° | 94.8° |
| C29 | C35 | N23 | C24 | 89.7° | 84.2° |
| C29 | C35 | H59 | H58 | 117.3° | 117.4° |
| C35 | C29 | C30 | H54 | 0.3° | 0.0° |
| C35 | C29 | C34 | H57 | 0.4° | 0.2° |
| C35 | N23 | C22 | O25 | 0.3° | 0.4° |
| C35 | N23 | C22 | C24 | 179.7° | 179.0° |
| C35 | N23 | C24 | O26 | 0.0° | 1.1° |
| C35 | N23 | C22 | C10 | 180.0° | 179.4° |
| C35 | N23 | C24 | C15 | 180.0° | 179.1° |
| N23 | C35 | H59 | H58 | 117.3° | 117.9° |
| O25 | C22 | N23 | C10 | 179.7° | 179.9° |
| O25 | C22 | N23 | C24 | 180.0° | 178.6° |
| O25 | C22 | C10 | C9 | 0.1° | 0.5° |
| O25 | C22 | C10 | C11 | 179.8° | 179.7° |
| C22 | N23 | C24 | O26 | 179.7° | 177.9° |
| C22 | N23 | C24 | C15 | 0.3° | 1.9° |
| N23 | C22 | C10 | C9 | 179.8° | 179.4° |
| N23 | C22 | C10 | C11 | 0.1° | 0.4° |
| C22 | N23 | C35 | H59 | 149.0° | 27.5° |
| C22 | N23 | C35 | H58 | 30.8° | 142.5° |
| N23 | C24 | O26 | C15 | 179.9° | 179.8° |
| C24 | N23 | C22 | C10 | 0.3° | 1.6° |
| N23 | C24 | C15 | C11 | 0.0° | 1.1° |
| N23 | C24 | C15 | C16 | 179.9° | 179.0° |
| C24 | N23 | C35 | H59 | 31.2° | 153.4° |
| C24 | N23 | C35 | H58 | 149.5° | 38.4° |
| O26 | C24 | C15 | C11 | 179.9° | 178.7° |
| O26 | C24 | C15 | C16 | 0.2° | 1.2° |
| C22 | C10 | C9 | C11 | 179.9° | 179.8° |
| C22 | C10 | C11 | C15 | 0.1° | 0.2° |
| C22 | C10 | C9 | C14 | 179.8° | 179.9° |
| C22 | C10 | C11 | C12 | 179.7° | 179.9° |
| C22 | C10 | C9 | H49 | 0.2° | 0.1° |
| C24 | C15 | C11 | C10 | 0.1° | 0.1° |
| C24 | C15 | C11 | C16 | 179.9° | 179.9° |
| C24 | C15 | C11 | C12 | 179.7° | 179.8° |
| C24 | C15 | C16 | C17 | 179.8° | 179.9° |
| C24 | C15 | C16 | H71 | 0.2° | 0.2° |
| C9 | C10 | C11 | C15 | 180.0° | 179.9° |
| C10 | C9 | C14 | H49 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C10 | C9 | C14 | C13 | 0.0° | 0.1° |
| C10 | C9 | C14 | H50 | 180.0° | 180.0° |
| C10 | C11 | C15 | C12 | 179.9° | 179.9° |
| C10 | C11 | C15 | C16 | 180.0° | 180.0° |
| C11 | C10 | C9 | C14 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | C18 | 180.0° | 180.0° |
| C11 | C10 | C9 | H49 | 179.9° | 179.9° |
| C11 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C11 | C12 | C13 | 180.0° | 180.0° |
| C15 | C11 | C12 | C18 | 0.1° | 0.1° |
| C11 | C15 | C16 | H71 | 179.9° | 179.9° |
| C16 | C15 | C11 | C12 | 0.2° | 0.1° |
| C15 | C16 | C17 | H71 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H72 | 180.0° | 180.0° |
| C9 | C14 | C13 | H50 | 180.0° | 179.9° |
| C9 | C14 | C13 | C12 | 0.0° | 0.1° |
| C9 | C14 | C13 | C21 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.2° |
| C11 | C12 | C13 | C18 | 179.9° | 179.9° |
| C11 | C12 | C18 | C17 | 0.0° | 0.0° |
| C11 | C12 | C13 | C21 | 180.0° | 179.9° |
| C11 | C12 | C18 | C19 | 179.9° | 179.9° |
| C16 | C17 | C18 | C12 | 0.0° | 0.1° |
| C16 | C17 | C18 | H72 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C14 | C13 | C12 | C21 | 180.0° | 179.8° |
| C14 | C13 | C12 | C18 | 179.9° | 179.9° |
| C14 | C13 | C21 | O27 | 0.2° | 0.1° |
| C14 | C13 | C21 | N20 | 179.9° | 180.0° |
| C13 | C14 | C9 | H49 | 180.0° | 179.9° |
| C13 | C12 | C18 | C17 | 179.9° | 179.9° |
| C13 | C12 | C18 | C19 | 0.0° | 0.0° |
| C12 | C13 | C21 | O27 | 179.8° | 179.8° |
| C12 | C13 | C21 | N20 | 0.1° | 0.2° |
| C12 | C13 | C14 | H50 | 180.0° | 179.9° |
| C12 | C18 | C17 | C19 | 179.9° | 179.9° |
| C18 | C12 | C13 | C21 | 0.1° | 0.2° |
| C12 | C18 | C19 | N20 | 0.0° | 0.2° |
| C12 | C18 | C19 | O28 | 179.6° | 179.9° |
| C12 | C18 | C17 | H72 | 180.0° | 180.0° |
| C17 | C18 | C19 | N20 | 180.0° | 179.9° |
| C17 | C18 | C19 | O28 | 0.3° | 0.0° |
| C18 | C17 | C16 | H71 | 180.0° | 180.0° |
| C13 | C21 | O27 | N20 | 179.9° | 180.0° |
| C13 | C21 | N20 | C19 | 0.1° | 0.1° |
| C13 | C21 | N20 | H73 | 179.9° | 179.9° |
| C21 | C13 | C14 | H50 | 0.1° | 0.2° |
| C18 | C19 | N20 | C21 | 0.0° | 0.1° |
| C18 | C19 | N20 | O28 | 179.7° | 179.9° |
| C18 | C19 | N20 | H73 | 180.0° | 179.9° |
| C19 | C18 | C17 | H72 | 0.0° | 0.1° |
| O27 | C21 | N20 | C19 | 179.8° | 180.0° |
| O27 | C21 | N20 | H73 | 0.2° | 0.1° |
| C21 | N20 | C19 | H73 | 180.0° | 179.9° |
| C21 | N20 | C19 | O28 | 179.6° | 179.9° |
| O28 | C19 | N20 | H73 | 0.4° | 0.0° |
| H49 | C9 | C14 | H50 | 0.0° | 0.1° |
| H71 | C16 | C17 | H72 | 0.0° | 0.0° |
| H54 | C30 | C31 | H55 | 0.1° | 0.2° |
| H56 | C33 | C34 | H57 | 0.0° | 0.0° |
| H39 | C2 | C6 | H45 | 115.9° | 69.5° |
| H39 | C2 | C6 | H46 | 3.7° | 49.6° |
| H39 | C2 | N3 | H40 | 115.2° | 47.0° |
| H38 | C2 | C6 | H45 | 3.2° | 49.3° |
| H38 | C2 | C6 | H46 | 122.8° | 168.4° |
| H38 | C2 | N3 | H40 | 3.9° | 166.3° |
| H45 | C6 | N4 | H42 | 14.4° | 84.8° |
| H45 | C6 | N4 | H41 | 133.7° | 31.9° |
| H46 | C6 | N4 | H42 | 105.3° | 34.2° |
| H46 | C6 | N4 | H41 | 14.0° | 150.9° |
| H43 | C5 | C1 | H36 | 5.2° | 49.0° |
| H43 | C5 | C1 | H37 | 122.8° | 69.8° |
| H43 | C5 | N3 | H40 | 166.3° | 46.2° |
| H44 | C5 | C1 | H36 | 116.5° | 167.7° |
| H44 | C5 | C1 | H37 | 1.1° | 48.8° |
| H44 | C5 | N3 | H40 | 44.6° | 165.4° |
| H36 | C1 | N7 | H48 | 141.9° | 153.2° |
| H36 | C1 | N7 | H47 | 19.3° | 33.1° |
| H37 | C1 | N7 | H48 | 24.2° | 34.6° |
| H37 | C1 | N7 | H47 | 98.4° | 85.5° |
