DFJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.47Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.46Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.48Å | Aromatic |
| C2 | C11 | sing | 1.51Å | 1.47Å | |
| C3 | C4 | doub | 1.38Å | 1.46Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.47Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.47Å | Aromatic |
| C5 | C20 | sing | 1.51Å | 1.51Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | P12 | sing | 1.82Å | 1.78Å | |
| C11 | F13 | sing | 1.40Å | 1.48Å | |
| C11 | F14 | sing | 1.40Å | 1.49Å | |
| P12 | O15 | sing | 1.61Å | 1.79Å | |
| P12 | O16 | sing | 1.61Å | 1.76Å | |
| P12 | O17 | doub | 1.48Å | 1.76Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | O24 | doub | 1.21Å | 1.23Å | |
| C21 | N25 | sing | 1.35Å | 1.33Å | |
| N25 | C26 | sing | 1.46Å | 1.48Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C7 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | O30 | doub | 1.21Å | 1.23Å | |
| C27 | N31 | sing | 1.35Å | 1.34Å | |
| N31 | C32 | sing | 1.46Å | 1.48Å | |
| N31 | H31 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | C35 | sing | 1.53Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | O34 | doub | 1.21Å | 1.22Å | |
| C33 | N40 | sing | 1.35Å | 1.33Å | |
| C35 | C37 | sing | 1.51Å | 1.51Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C37 | C56 | doub | 1.38Å | 1.46Å | Aromatic |
| C37 | C60 | sing | 1.38Å | 1.46Å | Aromatic |
| N40 | H401 | sing | 0.97Å | 1.00Å | |
| N40 | H402 | sing | 0.97Å | 1.00Å | |
| C43 | C46 | doub | 1.38Å | 1.47Å | Aromatic |
| C43 | C50 | sing | 1.38Å | 1.47Å | Aromatic |
| C43 | C7 | sing | 1.51Å | 1.52Å | |
| C46 | C47 | sing | 1.38Å | 1.47Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | doub | 1.38Å | 1.47Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | sing | 1.38Å | 1.47Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | doub | 1.38Å | 1.47Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C56 | C57 | sing | 1.38Å | 1.46Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C57 | C58 | doub | 1.38Å | 1.47Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | C59 | sing | 1.38Å | 1.47Å | Aromatic |
| C58 | C65 | sing | 1.51Å | 1.46Å | |
| C59 | C60 | doub | 1.38Å | 1.45Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.08Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C65 | F66 | sing | 1.40Å | 1.43Å | |
| C65 | F67 | sing | 1.40Å | 1.45Å | |
| C65 | P68 | sing | 1.82Å | 1.91Å | |
| P68 | O69 | doub | 1.48Å | 1.68Å | |
| P68 | O70 | sing | 1.61Å | 1.69Å | |
| P68 | O71 | sing | 1.61Å | 1.72Å | |
| O70 | H70 | sing | 0.97Å | 0.95Å | |
| O71 | H71 | sing | 0.97Å | 0.95Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.0° | 120.0° |
| C2 | C1 | H1 | 120.5° | 120.0° |
| C1 | C2 | C3 | 123.7° | 120.0° |
| C1 | C2 | C11 | 117.2° | 120.0° |
| C6 | C1 | H1 | 120.5° | 119.9° |
| C1 | C6 | C5 | 115.2° | 120.0° |
| C1 | C6 | H6 | 122.4° | 120.0° |
| C3 | C2 | C11 | 119.1° | 120.0° |
| C2 | C3 | C4 | 119.0° | 120.0° |
| C2 | C3 | H3 | 120.5° | 120.0° |
| C2 | C11 | P12 | 120.1° | 109.5° |
| C2 | C11 | F13 | 116.1° | 109.5° |
| C2 | C11 | F14 | 116.5° | 109.4° |
| C4 | C3 | H3 | 120.5° | 120.0° |
| C3 | C4 | C5 | 114.9° | 120.0° |
| C3 | C4 | H4 | 122.6° | 120.0° |
| C5 | C4 | H4 | 122.5° | 120.0° |
| C4 | C5 | C6 | 128.3° | 120.0° |
| C4 | C5 | C20 | 116.9° | 120.0° |
| C6 | C5 | C20 | 114.9° | 120.0° |
| C5 | C6 | H6 | 122.4° | 120.0° |
| C5 | C20 | C21 | 110.7° | 109.5° |
| C5 | C20 | H201 | 108.8° | 109.5° |
| C5 | C20 | H202 | 109.0° | 109.5° |
| P12 | C11 | F13 | 100.9° | 109.5° |
| P12 | C11 | F14 | 99.6° | 109.5° |
| C11 | P12 | O15 | 97.2° | 109.5° |
| C11 | P12 | O16 | 103.4° | 109.5° |
| C11 | P12 | O17 | 105.5° | 109.5° |
| F13 | C11 | F14 | 100.2° | 109.5° |
| O15 | P12 | O16 | 109.5° | 109.5° |
| O15 | P12 | O17 | 118.6° | 109.5° |
| P12 | O15 | H15 | 109.5° | 106.8° |
| O16 | P12 | O17 | 118.9° | 109.4° |
| P12 | O16 | H16 | 109.5° | 106.8° |
| C21 | C20 | H201 | 108.8° | 109.5° |
| C21 | C20 | H202 | 109.1° | 109.4° |
| C20 | C21 | O24 | 120.8° | 120.0° |
| C20 | C21 | N25 | 119.1° | 120.0° |
| H201 | C20 | H202 | 110.4° | 109.4° |
| O24 | C21 | N25 | 120.0° | 120.0° |
| C21 | N25 | C26 | 115.9° | 120.0° |
| C21 | N25 | H25 | 122.0° | 120.0° |
| C26 | N25 | H25 | 122.1° | 120.0° |
| N25 | C26 | C27 | 111.8° | 109.5° |
| N25 | C26 | C7 | 109.1° | 109.5° |
| N25 | C26 | H26 | 108.0° | 109.5° |
| C27 | C26 | C7 | 109.0° | 109.4° |
| C27 | C26 | H26 | 108.1° | 109.5° |
| C26 | C27 | O30 | 121.4° | 120.0° |
| C26 | C27 | N31 | 118.0° | 120.0° |
| C7 | C26 | H26 | 110.8° | 109.5° |
| C26 | C7 | C43 | 111.9° | 109.4° |
| C26 | C7 | H7C1 | 108.1° | 109.5° |
| C26 | C7 | H7C2 | 108.6° | 109.5° |
| O30 | C27 | N31 | 120.6° | 120.0° |
| C27 | N31 | C32 | 119.8° | 120.1° |
| C27 | N31 | H31 | 120.1° | 120.0° |
| C32 | N31 | H31 | 120.1° | 119.9° |
| N31 | C32 | C33 | 112.8° | 109.5° |
| N31 | C32 | C35 | 108.4° | 109.5° |
| N31 | C32 | H32 | 108.0° | 109.5° |
| C33 | C32 | C35 | 109.5° | 109.5° |
| C33 | C32 | H32 | 106.8° | 109.4° |
| C32 | C33 | O34 | 120.7° | 120.0° |
| C32 | C33 | N40 | 116.8° | 120.0° |
| C35 | C32 | H32 | 111.4° | 109.4° |
| C32 | C35 | C37 | 113.1° | 109.5° |
| C32 | C35 | H351 | 107.5° | 109.4° |
| C32 | C35 | H352 | 108.3° | 109.4° |
| O34 | C33 | N40 | 122.6° | 120.0° |
| C33 | N40 | H401 | 125.1° | 120.0° |
| C33 | N40 | H402 | 109.8° | 120.0° |
| C37 | C35 | H351 | 107.5° | 109.5° |
| C37 | C35 | H352 | 108.3° | 109.5° |
| C35 | C37 | C56 | 116.8° | 120.0° |
| C35 | C37 | C60 | 116.0° | 120.0° |
| H351 | C35 | H352 | 112.3° | 109.4° |
| C56 | C37 | C60 | 127.2° | 120.0° |
| C37 | C56 | C57 | 116.0° | 120.0° |
| C37 | C56 | H56 | 122.0° | 120.0° |
| C37 | C60 | C59 | 116.2° | 120.0° |
| C37 | C60 | H60 | 121.9° | 120.0° |
| H401 | N40 | H402 | 125.1° | 120.0° |
| C46 | C43 | C50 | 125.3° | 120.0° |
| C46 | C43 | C7 | 116.9° | 120.0° |
| C43 | C46 | C47 | 116.9° | 120.0° |
| C43 | C46 | H46 | 121.6° | 120.0° |
| C50 | C43 | C7 | 117.8° | 120.0° |
| C43 | C50 | C49 | 116.5° | 120.0° |
| C43 | C50 | H50 | 121.8° | 120.0° |
| C43 | C7 | H7C1 | 108.1° | 109.5° |
| C43 | C7 | H7C2 | 108.7° | 109.4° |
| C47 | C46 | H46 | 121.5° | 120.0° |
| C46 | C47 | C48 | 119.1° | 120.0° |
| C46 | C47 | H47 | 120.4° | 120.0° |
| C48 | C47 | H47 | 120.5° | 120.0° |
| C47 | C48 | C49 | 122.7° | 119.9° |
| C47 | C48 | H48 | 118.7° | 120.0° |
| C49 | C48 | H48 | 118.7° | 120.0° |
| C48 | C49 | C50 | 119.5° | 120.0° |
| C48 | C49 | H49 | 120.3° | 119.9° |
| C50 | C49 | H49 | 120.2° | 120.0° |
| C49 | C50 | H50 | 121.7° | 120.0° |
| C57 | C56 | H56 | 122.0° | 120.0° |
| C56 | C57 | C58 | 117.9° | 120.0° |
| C56 | C57 | H57 | 121.1° | 120.1° |
| C58 | C57 | H57 | 121.1° | 120.0° |
| C57 | C58 | C59 | 124.7° | 120.0° |
| C57 | C58 | C65 | 115.9° | 120.0° |
| C59 | C58 | C65 | 119.4° | 120.0° |
| C58 | C59 | C60 | 118.0° | 120.0° |
| C58 | C59 | H59 | 121.0° | 120.0° |
| C58 | C65 | F66 | 109.7° | 109.5° |
| C58 | C65 | F67 | 111.6° | 109.5° |
| C58 | C65 | P68 | 118.5° | 109.5° |
| C60 | C59 | H59 | 121.0° | 120.0° |
| C59 | C60 | H60 | 121.9° | 120.0° |
| F66 | C65 | F67 | 110.6° | 109.5° |
| F66 | C65 | P68 | 106.1° | 109.4° |
| F67 | C65 | P68 | 99.8° | 109.5° |
| C65 | P68 | O69 | 103.6° | 109.5° |
| C65 | P68 | O70 | 103.1° | 109.5° |
| C65 | P68 | O71 | 105.9° | 109.5° |
| O69 | P68 | O70 | 114.8° | 109.5° |
| O69 | P68 | O71 | 112.3° | 109.5° |
| O70 | P68 | O71 | 115.4° | 109.5° |
| P68 | O70 | H70 | 109.5° | 106.8° |
| P68 | O71 | H71 | 109.5° | 106.8° |
| H7C1 | C7 | H7C2 | 111.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C11 | 179.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.1° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C1 | C2 | C11 | P12 | 98.5° | 87.8° |
| C1 | C2 | C11 | F13 | 139.6° | 152.2° |
| C1 | C2 | C11 | F14 | 21.8° | 32.2° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | C11 | 179.4° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.3° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C20 | 179.3° | 180.0° |
| H1 | C1 | C2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C2 | C11 | 0.6° | 0.0° |
| H1 | C1 | C6 | C5 | 180.0° | 180.0° |
| H1 | C1 | C6 | H6 | 0.0° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.0° | 0.4° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C11 | P12 | 81.9° | 92.3° |
| C3 | C2 | C11 | F13 | 39.9° | 27.8° |
| C3 | C2 | C11 | F14 | 157.7° | 147.8° |
| C11 | C2 | C3 | C4 | 179.4° | 179.8° |
| C11 | C2 | C3 | H3 | 0.6° | 0.0° |
| C2 | C11 | P12 | F13 | 129.1° | 120.0° |
| C2 | C11 | P12 | F14 | 128.5° | 119.9° |
| C2 | C11 | F13 | F14 | 126.4° | 120.0° |
| C2 | C11 | P12 | O15 | 174.7° | 58.5° |
| C2 | C11 | P12 | O16 | 62.6° | 61.6° |
| C2 | C11 | P12 | O17 | 62.9° | 178.5° |
| C3 | C4 | C5 | H4 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | C20 | 179.3° | 179.8° |
| H3 | C3 | C4 | C5 | 180.0° | 179.7° |
| H3 | C3 | C4 | H4 | 0.0° | 0.2° |
| C4 | C5 | C6 | C20 | 179.4° | 179.7° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C4 | C5 | C20 | C21 | 86.8° | 90.3° |
| C4 | C5 | C20 | H201 | 32.8° | 149.7° |
| C4 | C5 | C20 | H202 | 153.2° | 29.7° |
| H4 | C4 | C5 | C6 | 179.9° | 179.9° |
| H4 | C4 | C5 | C20 | 0.7° | 0.2° |
| C6 | C5 | C20 | C21 | 92.7° | 90.0° |
| C6 | C5 | C20 | H201 | 147.8° | 30.0° |
| C6 | C5 | C20 | H202 | 27.3° | 150.0° |
| C20 | C5 | C6 | H6 | 0.7° | 0.0° |
| C5 | C20 | C21 | H201 | 119.5° | 120.0° |
| C5 | C20 | C21 | H202 | 120.0° | 120.0° |
| C5 | C20 | H201 | H202 | 119.6° | 120.0° |
| C5 | C20 | C21 | O24 | 59.4° | 0.0° |
| C5 | C20 | C21 | N25 | 117.7° | 180.0° |
| P12 | C11 | F13 | F14 | 102.0° | 120.0° |
| C11 | P12 | O15 | O16 | 107.0° | 120.0° |
| C11 | P12 | O15 | O17 | 112.0° | 120.0° |
| C11 | P12 | O16 | O17 | 116.4° | 120.0° |
| C11 | P12 | O15 | H15 | 122.9° | 180.0° |
| C11 | P12 | O16 | H16 | 116.4° | 65.6° |
| F13 | C11 | P12 | O15 | 56.2° | 178.5° |
| F13 | C11 | P12 | O16 | 168.3° | 58.5° |
| F13 | C11 | P12 | O17 | 66.2° | 61.5° |
| F14 | C11 | P12 | O15 | 46.3° | 61.5° |
| F14 | C11 | P12 | O16 | 65.8° | 178.5° |
| F14 | C11 | P12 | O17 | 168.6° | 58.5° |
| O15 | P12 | O16 | O17 | 140.8° | 120.0° |
| O15 | P12 | O16 | H16 | 140.8° | 54.4° |
| O16 | P12 | O15 | H15 | 130.1° | 60.0° |
| O17 | P12 | O15 | H15 | 10.9° | 60.0° |
| O17 | P12 | O16 | H16 | 0.0° | 174.4° |
| C21 | C20 | H201 | H202 | 119.7° | 120.0° |
| C20 | C21 | O24 | N25 | 177.1° | 180.0° |
| C20 | C21 | N25 | C26 | 178.3° | 180.0° |
| C20 | C21 | N25 | H25 | 1.7° | 0.1° |
| H201 | C20 | C21 | O24 | 60.1° | 120.0° |
| H201 | C20 | C21 | N25 | 122.8° | 60.0° |
| H202 | C20 | C21 | O24 | 179.4° | 120.0° |
| H202 | C20 | C21 | N25 | 2.3° | 60.0° |
| O24 | C21 | N25 | C26 | 4.6° | 0.1° |
| O24 | C21 | N25 | H25 | 175.4° | 180.0° |
| C21 | N25 | C26 | H25 | 180.0° | 179.9° |
| C21 | N25 | C26 | C27 | 119.0° | 155.0° |
| C21 | N25 | C26 | C7 | 120.3° | 85.0° |
| C21 | N25 | C26 | H26 | 0.2° | 35.0° |
| N25 | C26 | C27 | C7 | 120.7° | 120.0° |
| N25 | C26 | C27 | H26 | 118.7° | 120.0° |
| N25 | C26 | C7 | H26 | 118.8° | 120.0° |
| N25 | C26 | C27 | O30 | 58.4° | 0.0° |
| N25 | C26 | C27 | N31 | 121.5° | 180.0° |
| N25 | C26 | C7 | C43 | 177.3° | 65.0° |
| N25 | C26 | C7 | H7C1 | 58.4° | 55.0° |
| N25 | C26 | C7 | H7C2 | 62.6° | 175.0° |
| H25 | N25 | C26 | C27 | 61.0° | 24.9° |
| H25 | N25 | C26 | C7 | 59.7° | 95.0° |
| H25 | N25 | C26 | H26 | 179.8° | 144.9° |
| C27 | C26 | C7 | H26 | 118.9° | 119.9° |
| C26 | C27 | O30 | N31 | 179.9° | 180.0° |
| C26 | C27 | N31 | C32 | 175.9° | 180.0° |
| C26 | C27 | N31 | H31 | 4.1° | 0.0° |
| C27 | C26 | C7 | C43 | 55.0° | 175.0° |
| C27 | C26 | C7 | H7C1 | 64.0° | 65.1° |
| C27 | C26 | C7 | H7C2 | 175.0° | 55.0° |
| C7 | C26 | C27 | O30 | 62.3° | 120.0° |
| C7 | C26 | C27 | N31 | 117.8° | 60.0° |
| C26 | C7 | C43 | C46 | 77.2° | 90.0° |
| C26 | C7 | C43 | C50 | 102.6° | 90.3° |
| C26 | C7 | C43 | H7C1 | 118.9° | 120.0° |
| C26 | C7 | C43 | H7C2 | 120.0° | 120.0° |
| C26 | C7 | H7C1 | H7C2 | 119.3° | 120.0° |
| H26 | C26 | C27 | O30 | 177.2° | 120.0° |
| H26 | C26 | C27 | N31 | 2.7° | 60.0° |
| H26 | C26 | C7 | C43 | 63.9° | 55.0° |
| H26 | C26 | C7 | H7C1 | 177.2° | 175.0° |
| H26 | C26 | C7 | H7C2 | 56.1° | 64.9° |
| O30 | C27 | N31 | C32 | 4.0° | 0.0° |
| O30 | C27 | N31 | H31 | 176.0° | 180.0° |
| C27 | N31 | C32 | H31 | 180.0° | 180.0° |
| C27 | N31 | C32 | C33 | 82.3° | 85.0° |
| C27 | N31 | C32 | C35 | 156.2° | 155.0° |
| C27 | N31 | C32 | H32 | 35.4° | 35.0° |
| N31 | C32 | C33 | C35 | 120.8° | 120.0° |
| N31 | C32 | C33 | H32 | 118.5° | 120.0° |
| N31 | C32 | C35 | H32 | 118.7° | 120.0° |
| N31 | C32 | C33 | O34 | 132.8° | 0.0° |
| N31 | C32 | C33 | N40 | 48.0° | 180.0° |
| N31 | C32 | C35 | C37 | 176.0° | 65.0° |
| N31 | C32 | C35 | H351 | 65.5° | 55.1° |
| N31 | C32 | C35 | H352 | 56.1° | 175.0° |
| H31 | N31 | C32 | C33 | 97.7° | 95.0° |
| H31 | N31 | C32 | C35 | 23.8° | 25.0° |
| H31 | N31 | C32 | H32 | 144.6° | 145.0° |
| C33 | C32 | C35 | H32 | 117.9° | 119.9° |
| C32 | C33 | O34 | N40 | 179.2° | 180.0° |
| C33 | C32 | C35 | C37 | 60.5° | 175.0° |
| C33 | C32 | C35 | H351 | 57.9° | 65.0° |
| C33 | C32 | C35 | H352 | 179.5° | 55.0° |
| C32 | C33 | N40 | H401 | 179.7° | 180.0° |
| C32 | C33 | N40 | H402 | 0.3° | 0.3° |
| C35 | C32 | C33 | O34 | 106.4° | 120.0° |
| C35 | C32 | C33 | N40 | 72.8° | 60.0° |
| C32 | C35 | C37 | H351 | 118.4° | 120.0° |
| C32 | C35 | C37 | H352 | 120.0° | 120.0° |
| C32 | C35 | H351 | H352 | 119.0° | 119.9° |
| C32 | C35 | C37 | C56 | 123.7° | 90.0° |
| C32 | C35 | C37 | C60 | 56.6° | 90.3° |
| H32 | C32 | C33 | O34 | 14.3° | 120.1° |
| H32 | C32 | C33 | N40 | 166.5° | 60.0° |
| H32 | C32 | C35 | C37 | 57.4° | 55.1° |
| H32 | C32 | C35 | H351 | 175.8° | 175.1° |
| H32 | C32 | C35 | H352 | 62.6° | 65.0° |
| O34 | C33 | N40 | H401 | 0.5° | 0.1° |
| O34 | C33 | N40 | H402 | 179.5° | 179.8° |
| C33 | N40 | H401 | H402 | 180.0° | 179.7° |
| C37 | C35 | H351 | H352 | 119.0° | 120.1° |
| C35 | C37 | C56 | C60 | 179.6° | 179.7° |
| C35 | C37 | C56 | C57 | 179.6° | 180.0° |
| C35 | C37 | C56 | H56 | 0.4° | 0.1° |
| C35 | C37 | C60 | C59 | 179.6° | 179.8° |
| C35 | C37 | C60 | H60 | 0.3° | 0.2° |
| H351 | C35 | C37 | C56 | 5.3° | 30.0° |
| H351 | C35 | C37 | C60 | 175.0° | 149.7° |
| H352 | C35 | C37 | C56 | 116.3° | 150.0° |
| H352 | C35 | C37 | C60 | 63.4° | 29.7° |
| C37 | C56 | C57 | H56 | 180.0° | 179.9° |
| C37 | C56 | C57 | C58 | 0.0° | 0.1° |
| C37 | C56 | C57 | H57 | 180.0° | 180.0° |
| C56 | C37 | C60 | C59 | 0.0° | 0.5° |
| C56 | C37 | C60 | H60 | 180.0° | 179.9° |
| C60 | C37 | C56 | C57 | 0.0° | 0.3° |
| C60 | C37 | C56 | H56 | 180.0° | 179.8° |
| C37 | C60 | C59 | C58 | 0.1° | 0.5° |
| C37 | C60 | C59 | H60 | 180.0° | 179.6° |
| C37 | C60 | C59 | H59 | 179.9° | 179.8° |
| C46 | C43 | C50 | C7 | 179.8° | 179.7° |
| C43 | C46 | C47 | H46 | 180.0° | 179.9° |
| C43 | C46 | C47 | C48 | 0.0° | 0.1° |
| C43 | C46 | C47 | H47 | 180.0° | 180.0° |
| C46 | C43 | C50 | C49 | 0.1° | 0.5° |
| C46 | C43 | C50 | H50 | 179.9° | 180.0° |
| C46 | C43 | C7 | H7C1 | 163.8° | 30.0° |
| C46 | C43 | C7 | H7C2 | 42.8° | 150.0° |
| C50 | C43 | C46 | C47 | 0.0° | 0.3° |
| C50 | C43 | C46 | H46 | 180.0° | 179.7° |
| C43 | C50 | C49 | C48 | 0.1° | 0.5° |
| C43 | C50 | C49 | H50 | 180.0° | 179.5° |
| C43 | C50 | C49 | H49 | 179.9° | 179.7° |
| C50 | C43 | C7 | H7C1 | 16.4° | 149.7° |
| C50 | C43 | C7 | H7C2 | 137.4° | 29.7° |
| C7 | C43 | C46 | C47 | 179.7° | 180.0° |
| C7 | C43 | C46 | H46 | 0.2° | 0.1° |
| C7 | C43 | C50 | C49 | 179.7° | 179.8° |
| C7 | C43 | C50 | H50 | 0.3° | 0.3° |
| C43 | C7 | H7C1 | H7C2 | 119.3° | 120.0° |
| C46 | C47 | C48 | H47 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 0.1° | 0.0° |
| C46 | C47 | C48 | H48 | 179.9° | 179.9° |
| H46 | C46 | C47 | C48 | 179.9° | 180.0° |
| H46 | C46 | C47 | H47 | 0.1° | 0.0° |
| C47 | C48 | C49 | H48 | 180.0° | 179.9° |
| C47 | C48 | C49 | C50 | 0.0° | 0.2° |
| C47 | C48 | C49 | H49 | 180.0° | 180.0° |
| H47 | C47 | C48 | C49 | 180.0° | 180.0° |
| H47 | C47 | C48 | H48 | 0.0° | 0.1° |
| C48 | C49 | C50 | H49 | 180.0° | 179.8° |
| C48 | C49 | C50 | H50 | 179.9° | 180.0° |
| H48 | C48 | C49 | C50 | 180.0° | 179.8° |
| H48 | C48 | C49 | H49 | 0.0° | 0.1° |
| H49 | C49 | C50 | H50 | 0.1° | 0.2° |
| C56 | C57 | C58 | H57 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.1° | 0.0° |
| C56 | C57 | C58 | C65 | 179.6° | 180.0° |
| H56 | C56 | C57 | C58 | 179.9° | 180.0° |
| H56 | C56 | C57 | H57 | 0.1° | 0.1° |
| C57 | C58 | C59 | C65 | 179.7° | 179.9° |
| C57 | C58 | C59 | C60 | 0.2° | 0.2° |
| C57 | C58 | C59 | H59 | 179.8° | 180.0° |
| C57 | C58 | C65 | F66 | 148.1° | 146.0° |
| C57 | C58 | C65 | F67 | 25.2° | 26.0° |
| C57 | C58 | C65 | P68 | 89.8° | 94.0° |
| H57 | C57 | C58 | C59 | 179.9° | 180.0° |
| H57 | C57 | C58 | C65 | 0.4° | 0.1° |
| C58 | C59 | C60 | H59 | 180.0° | 179.8° |
| C58 | C59 | C60 | H60 | 179.9° | 180.0° |
| C59 | C58 | C65 | F66 | 32.1° | 33.9° |
| C59 | C58 | C65 | F67 | 155.0° | 153.9° |
| C59 | C58 | C65 | P68 | 89.9° | 86.1° |
| C65 | C58 | C59 | C60 | 179.5° | 179.8° |
| C65 | C58 | C59 | H59 | 0.5° | 0.1° |
| C58 | C65 | F66 | F67 | 123.5° | 120.0° |
| C58 | C65 | F66 | P68 | 129.2° | 120.0° |
| C58 | C65 | F67 | P68 | 126.2° | 120.0° |
| C58 | C65 | P68 | O69 | 173.2° | 178.1° |
| C58 | C65 | P68 | O70 | 53.2° | 61.9° |
| C58 | C65 | P68 | O71 | 68.4° | 58.1° |
| H59 | C59 | C60 | H60 | 0.1° | 0.2° |
| F66 | C65 | F67 | P68 | 111.5° | 120.0° |
| F66 | C65 | P68 | O69 | 63.0° | 58.1° |
| F66 | C65 | P68 | O70 | 177.0° | 178.1° |
| F66 | C65 | P68 | O71 | 55.4° | 61.9° |
| F67 | C65 | P68 | O69 | 51.9° | 61.9° |
| F67 | C65 | P68 | O70 | 68.1° | 58.1° |
| F67 | C65 | P68 | O71 | 170.3° | 178.1° |
| C65 | P68 | O69 | O70 | 111.6° | 120.0° |
| C65 | P68 | O69 | O71 | 113.9° | 120.0° |
| C65 | P68 | O70 | O71 | 115.0° | 120.0° |
| C65 | P68 | O70 | H70 | 3.2° | 60.0° |
| C65 | P68 | O71 | H71 | 178.7° | 180.0° |
| O69 | P68 | O70 | O71 | 133.1° | 120.0° |
| O69 | P68 | O70 | H70 | 108.8° | 180.0° |
| O69 | P68 | O71 | H71 | 66.2° | 60.0° |
| O70 | P68 | O71 | H71 | 68.0° | 60.0° |
| O71 | P68 | O70 | H70 | 118.2° | 60.0° |
