822
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C18 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.38Å | 1.44Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C11 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C11 | F12 | sing | 1.40Å | 1.36Å | |
| C11 | F13 | sing | 1.40Å | 1.36Å | |
| C11 | P14 | sing | 1.82Å | 1.85Å | |
| P14 | O15 | doub | 1.48Å | 1.55Å | |
| P14 | O16 | sing | 1.61Å | 1.46Å | |
| P14 | O17 | sing | 1.61Å | 1.56Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C22 | sing | 1.51Å | 1.51Å | |
| C19 | N25 | sing | 1.46Å | 1.44Å | |
| C19 | H19 | sing | 1.09Å | 1.12Å | |
| C22 | N23 | sing | 1.35Å | 1.38Å | |
| C22 | O24 | doub | 1.21Å | 1.25Å | |
| N23 | C32 | sing | 1.46Å | 1.44Å | |
| N23 | H23 | sing | 0.97Å | 1.02Å | |
| N25 | C26 | sing | 1.35Å | 1.33Å | |
| N25 | H25 | sing | 0.97Å | 1.02Å | |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| C26 | C28 | sing | 1.51Å | 1.57Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.51Å | 1.55Å | |
| C32 | C49 | sing | 1.53Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.11Å | |
| C33 | N34 | sing | 1.34Å | 1.43Å | |
| C33 | O37 | doub | 1.21Å | 1.24Å | |
| N34 | C38 | sing | 1.47Å | 1.48Å | |
| N34 | C42 | sing | 1.46Å | 1.49Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C39 | C46 | sing | 1.52Å | 1.56Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C43 | C58 | sing | 1.38Å | 1.42Å | Aromatic |
| C43 | C62 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | C49 | sing | 1.52Å | 1.57Å | |
| C46 | H461 | sing | 1.09Å | 1.12Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C49 | H491 | sing | 1.09Å | 1.12Å | |
| C49 | H492 | sing | 1.09Å | 1.12Å | |
| C58 | C59 | doub | 1.38Å | 1.42Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.10Å | |
| C59 | C60 | sing | 1.39Å | 1.40Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.10Å | |
| C60 | C61 | doub | 1.39Å | 1.41Å | Aromatic |
| C60 | C67 | sing | 1.48Å | 1.50Å | Aromatic |
| C61 | C62 | sing | 1.38Å | 1.37Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.10Å | |
| C62 | H62 | sing | 1.08Å | 1.10Å | |
| C67 | C68 | sing | 1.39Å | 1.42Å | Aromatic |
| C67 | C72 | doub | 1.39Å | 1.44Å | Aromatic |
| C68 | C69 | doub | 1.38Å | 1.43Å | Aromatic |
| C68 | H68 | sing | 1.08Å | 1.10Å | |
| C69 | C70 | sing | 1.38Å | 1.40Å | Aromatic |
| C69 | H69 | sing | 1.08Å | 1.10Å | |
| C70 | C71 | doub | 1.38Å | 1.41Å | Aromatic |
| C70 | H70 | sing | 1.08Å | 1.10Å | |
| C71 | C72 | sing | 1.38Å | 1.42Å | Aromatic |
| C71 | H71 | sing | 1.08Å | 1.10Å | |
| C72 | H72 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.9° | 120.0° |
| C2 | C1 | C18 | 117.4° | 120.0° |
| C1 | C2 | C3 | 118.7° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C6 | C1 | C18 | 120.6° | 120.1° |
| C1 | C6 | C5 | 118.6° | 120.0° |
| C1 | C6 | H6 | 121.8° | 120.0° |
| C1 | C18 | C19 | 109.3° | 109.5° |
| C1 | C18 | H181 | 112.2° | 109.5° |
| C1 | C18 | H182 | 112.3° | 109.5° |
| C3 | C2 | H2 | 121.1° | 120.0° |
| C2 | C3 | C4 | 119.6° | 120.0° |
| C2 | C3 | H3 | 119.2° | 120.0° |
| C4 | C3 | H3 | 121.2° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.0° |
| C3 | C4 | C11 | 119.1° | 120.0° |
| C5 | C4 | C11 | 121.5° | 120.1° |
| C4 | C5 | C6 | 121.4° | 120.0° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C4 | C11 | F12 | 109.7° | 109.5° |
| C4 | C11 | F13 | 111.5° | 109.5° |
| C4 | C11 | P14 | 114.0° | 109.4° |
| C6 | C5 | H5 | 119.1° | 120.0° |
| C5 | C6 | H6 | 119.6° | 120.0° |
| F12 | C11 | F13 | 107.7° | 109.5° |
| F12 | C11 | P14 | 111.6° | 109.4° |
| F13 | C11 | P14 | 101.9° | 109.5° |
| C11 | P14 | O15 | 107.1° | 109.5° |
| C11 | P14 | O16 | 110.7° | 109.5° |
| C11 | P14 | O17 | 114.9° | 109.5° |
| O15 | P14 | O16 | 106.8° | 109.4° |
| O15 | P14 | O17 | 105.7° | 109.5° |
| O16 | P14 | O17 | 111.2° | 109.5° |
| P14 | O16 | H16 | 110.7° | 106.9° |
| P14 | O17 | H17 | 114.9° | 106.8° |
| C19 | C18 | H181 | 112.3° | 109.5° |
| C19 | C18 | H182 | 112.3° | 109.4° |
| C18 | C19 | C22 | 109.3° | 109.4° |
| C18 | C19 | N25 | 110.6° | 109.4° |
| C18 | C19 | H19 | 108.9° | 109.5° |
| H181 | C18 | H182 | 98.1° | 109.4° |
| C22 | C19 | N25 | 109.9° | 109.5° |
| C22 | C19 | H19 | 109.7° | 109.5° |
| C19 | C22 | N23 | 112.8° | 120.0° |
| C19 | C22 | O24 | 120.2° | 120.0° |
| N25 | C19 | H19 | 108.4° | 109.5° |
| C19 | N25 | C26 | 123.7° | 120.0° |
| C19 | N25 | H25 | 122.6° | 120.0° |
| N23 | C22 | O24 | 127.0° | 120.0° |
| C22 | N23 | C32 | 121.0° | 120.0° |
| C22 | N23 | H23 | 117.4° | 120.0° |
| C32 | N23 | H23 | 121.6° | 120.0° |
| N23 | C32 | C33 | 106.6° | 109.6° |
| N23 | C32 | C49 | 105.8° | 109.7° |
| N23 | C32 | H32 | 114.4° | 109.7° |
| C26 | N25 | H25 | 113.7° | 120.0° |
| N25 | C26 | O27 | 122.7° | 120.0° |
| N25 | C26 | C28 | 114.6° | 120.0° |
| O27 | C26 | C28 | 122.6° | 120.1° |
| C26 | C28 | H281 | 114.5° | 109.5° |
| C26 | C28 | H282 | 110.3° | 109.5° |
| C26 | C28 | H283 | 110.3° | 109.5° |
| H281 | C28 | H282 | 110.4° | 109.4° |
| H281 | C28 | H283 | 110.4° | 109.4° |
| H282 | C28 | H283 | 99.9° | 109.5° |
| C33 | C32 | C49 | 111.8° | 108.7° |
| C33 | C32 | H32 | 108.7° | 109.5° |
| C32 | C33 | N34 | 117.1° | 119.9° |
| C32 | C33 | O37 | 123.2° | 120.2° |
| C49 | C32 | H32 | 109.4° | 109.6° |
| C32 | C49 | C46 | 116.6° | 110.7° |
| C32 | C49 | H491 | 109.7° | 109.2° |
| C32 | C49 | H492 | 109.6° | 109.3° |
| N34 | C33 | O37 | 119.7° | 119.9° |
| C33 | N34 | C38 | 124.3° | 120.5° |
| C33 | N34 | C42 | 120.4° | 119.7° |
| C38 | N34 | C42 | 114.5° | 119.8° |
| N34 | C38 | C39 | 110.4° | 108.7° |
| N34 | C38 | H381 | 111.9° | 109.6° |
| N34 | C38 | H382 | 111.8° | 109.6° |
| N34 | C42 | C43 | 111.4° | 109.5° |
| N34 | C42 | H421 | 111.5° | 109.5° |
| N34 | C42 | H422 | 111.5° | 109.5° |
| C39 | C38 | H381 | 111.8° | 109.6° |
| C39 | C38 | H382 | 111.9° | 109.6° |
| C38 | C39 | C46 | 111.5° | 110.9° |
| C38 | C39 | H391 | 111.4° | 109.2° |
| C38 | C39 | H392 | 111.5° | 109.2° |
| H381 | C38 | H382 | 98.6° | 109.7° |
| C46 | C39 | H391 | 111.4° | 109.2° |
| C46 | C39 | H392 | 111.5° | 109.2° |
| C39 | C46 | C49 | 114.4° | 113.8° |
| C39 | C46 | H461 | 110.4° | 108.6° |
| C39 | C46 | H462 | 110.4° | 108.6° |
| H391 | C39 | H392 | 98.9° | 109.2° |
| C43 | C42 | H421 | 111.5° | 109.5° |
| C43 | C42 | H422 | 111.5° | 109.5° |
| C42 | C43 | C58 | 118.4° | 119.9° |
| C42 | C43 | C62 | 120.5° | 119.9° |
| H421 | C42 | H422 | 98.9° | 109.4° |
| C58 | C43 | C62 | 121.1° | 120.2° |
| C43 | C58 | C59 | 120.1° | 120.1° |
| C43 | C58 | H58 | 119.9° | 119.9° |
| C43 | C62 | C61 | 119.5° | 120.2° |
| C43 | C62 | H62 | 121.3° | 119.9° |
| C49 | C46 | H461 | 110.4° | 108.7° |
| C49 | C46 | H462 | 110.4° | 108.6° |
| C46 | C49 | H491 | 109.6° | 109.2° |
| C46 | C49 | H492 | 109.6° | 109.2° |
| H461 | C46 | H462 | 99.9° | 108.4° |
| H491 | C49 | H492 | 100.5° | 109.2° |
| C59 | C58 | H58 | 120.0° | 120.0° |
| C58 | C59 | C60 | 116.4° | 119.9° |
| C58 | C59 | H59 | 122.5° | 120.0° |
| C60 | C59 | H59 | 121.1° | 120.1° |
| C59 | C60 | C61 | 123.5° | 119.8° |
| C59 | C60 | C67 | 115.6° | 120.1° |
| C61 | C60 | C67 | 120.8° | 120.1° |
| C60 | C61 | C62 | 119.4° | 119.9° |
| C60 | C61 | H61 | 121.7° | 120.0° |
| C60 | C67 | C68 | 121.7° | 120.1° |
| C60 | C67 | C72 | 119.8° | 120.1° |
| C62 | C61 | H61 | 118.9° | 120.1° |
| C61 | C62 | H62 | 119.2° | 119.9° |
| C68 | C67 | C72 | 118.4° | 119.7° |
| C67 | C68 | C69 | 119.2° | 119.9° |
| C67 | C68 | H68 | 120.4° | 120.0° |
| C67 | C72 | C71 | 121.4° | 119.9° |
| C67 | C72 | H72 | 119.9° | 120.1° |
| C69 | C68 | H68 | 120.4° | 120.1° |
| C68 | C69 | C70 | 121.4° | 120.1° |
| C68 | C69 | H69 | 120.4° | 119.9° |
| C70 | C69 | H69 | 118.2° | 119.9° |
| C69 | C70 | C71 | 120.5° | 120.2° |
| C69 | C70 | H70 | 119.4° | 119.9° |
| C71 | C70 | H70 | 120.1° | 119.8° |
| C70 | C71 | C72 | 118.9° | 120.1° |
| C70 | C71 | H71 | 120.0° | 120.0° |
| C72 | C71 | H71 | 121.1° | 119.9° |
| C71 | C72 | H72 | 118.7° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C18 | 177.1° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 6.1° | 0.1° |
| C1 | C2 | C3 | H3 | 173.8° | 179.9° |
| C2 | C1 | C6 | C5 | 3.7° | 0.4° |
| C2 | C1 | C6 | H6 | 176.3° | 179.9° |
| C2 | C1 | C18 | C19 | 105.1° | 90.0° |
| C2 | C1 | C18 | H181 | 129.6° | 30.0° |
| C2 | C1 | C18 | H182 | 20.2° | 150.0° |
| C6 | C1 | C2 | C3 | 1.6° | 0.3° |
| C6 | C1 | C2 | H2 | 178.4° | 179.9° |
| C1 | C6 | C5 | C4 | 4.4° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 175.6° | 179.8° |
| C6 | C1 | C18 | C19 | 77.6° | 90.2° |
| C6 | C1 | C18 | H181 | 47.6° | 149.7° |
| C6 | C1 | C18 | H182 | 157.0° | 29.8° |
| C18 | C1 | C2 | C3 | 175.6° | 180.0° |
| C18 | C1 | C2 | H2 | 4.4° | 0.1° |
| C18 | C1 | C6 | C5 | 179.2° | 179.8° |
| C18 | C1 | C6 | H6 | 0.9° | 0.2° |
| C1 | C18 | C19 | H181 | 125.2° | 120.1° |
| C1 | C18 | C19 | H182 | 125.3° | 120.0° |
| C1 | C18 | H181 | H182 | 118.1° | 120.0° |
| C1 | C18 | C19 | C22 | 171.5° | 180.0° |
| C1 | C18 | C19 | N25 | 67.4° | 60.1° |
| C1 | C18 | C19 | H19 | 51.6° | 59.9° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 5.5° | 0.1° |
| C2 | C3 | C4 | C11 | 173.6° | 179.9° |
| H2 | C2 | C3 | C4 | 173.9° | 180.0° |
| H2 | C2 | C3 | H3 | 6.2° | 0.0° |
| C3 | C4 | C5 | C11 | 179.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C3 | C4 | C11 | F12 | 154.4° | 149.0° |
| C3 | C4 | C11 | F13 | 35.1° | 28.9° |
| C3 | C4 | C11 | P14 | 79.6° | 91.1° |
| H3 | C3 | C4 | C5 | 174.5° | 179.9° |
| H3 | C3 | C4 | C11 | 6.5° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 175.6° | 179.9° |
| C5 | C4 | C11 | F12 | 26.6° | 30.9° |
| C5 | C4 | C11 | F13 | 145.8° | 151.0° |
| C5 | C4 | C11 | P14 | 99.4° | 89.0° |
| C11 | C4 | C5 | C6 | 178.9° | 179.9° |
| C11 | C4 | C5 | H5 | 1.1° | 0.1° |
| C4 | C11 | F12 | F13 | 121.6° | 120.1° |
| C4 | C11 | F12 | P14 | 127.3° | 119.9° |
| C4 | C11 | F13 | P14 | 122.0° | 120.0° |
| C4 | C11 | P14 | O15 | 166.3° | 175.8° |
| C4 | C11 | P14 | O16 | 77.6° | 55.8° |
| C4 | C11 | P14 | O17 | 49.3° | 64.2° |
| H5 | C5 | C6 | H6 | 4.4° | 0.1° |
| F12 | C11 | F13 | P14 | 117.6° | 120.0° |
| F12 | C11 | P14 | O15 | 41.3° | 64.3° |
| F12 | C11 | P14 | O16 | 157.4° | 175.7° |
| F12 | C11 | P14 | O17 | 75.7° | 55.7° |
| F13 | C11 | P14 | O15 | 73.4° | 55.7° |
| F13 | C11 | P14 | O16 | 42.7° | 64.2° |
| F13 | C11 | P14 | O17 | 169.6° | 175.8° |
| C11 | P14 | O15 | O16 | 118.6° | 120.0° |
| C11 | P14 | O15 | O17 | 122.9° | 120.1° |
| C11 | P14 | O16 | O17 | 128.9° | 120.0° |
| C11 | P14 | O16 | H16 | 180.0° | 180.0° |
| C11 | P14 | O17 | H17 | 180.0° | 61.3° |
| O15 | P14 | O16 | O17 | 114.8° | 120.0° |
| O15 | P14 | O16 | H16 | 63.7° | 60.0° |
| O15 | P14 | O17 | H17 | 62.1° | 178.7° |
| O16 | P14 | O17 | H17 | 53.4° | 58.7° |
| O17 | P14 | O16 | H16 | 51.1° | 60.0° |
| C19 | C18 | H181 | H182 | 118.3° | 120.0° |
| C18 | C19 | C22 | N25 | 121.5° | 120.0° |
| C18 | C19 | C22 | H19 | 119.4° | 120.0° |
| C18 | C19 | N25 | H19 | 119.4° | 120.0° |
| C18 | C19 | C22 | N23 | 93.5° | 90.0° |
| C18 | C19 | C22 | O24 | 86.5° | 90.0° |
| C18 | C19 | N25 | C26 | 144.3° | 60.0° |
| C18 | C19 | N25 | H25 | 35.7° | 120.1° |
| H181 | C18 | C19 | C22 | 46.3° | 60.0° |
| H181 | C18 | C19 | N25 | 167.4° | 60.0° |
| H181 | C18 | C19 | H19 | 73.6° | 180.0° |
| H182 | C18 | C19 | C22 | 63.2° | 60.0° |
| H182 | C18 | C19 | N25 | 57.8° | 180.0° |
| H182 | C18 | C19 | H19 | 176.9° | 60.0° |
| C22 | C19 | N25 | H19 | 119.9° | 120.0° |
| C19 | C22 | N23 | O24 | 179.9° | 180.0° |
| C19 | C22 | N23 | C32 | 169.9° | 179.9° |
| C19 | C22 | N23 | H23 | 10.0° | 0.0° |
| C22 | C19 | N25 | C26 | 95.0° | 60.0° |
| C22 | C19 | N25 | H25 | 85.0° | 120.0° |
| N25 | C19 | C22 | N23 | 145.0° | 150.0° |
| N25 | C19 | C22 | O24 | 35.0° | 30.0° |
| C19 | N25 | C26 | H25 | 180.0° | 179.9° |
| C19 | N25 | C26 | O27 | 7.6° | 0.0° |
| C19 | N25 | C26 | C28 | 169.7° | 180.0° |
| H19 | C19 | C22 | N23 | 25.9° | 30.0° |
| H19 | C19 | C22 | O24 | 154.1° | 150.0° |
| H19 | C19 | N25 | C26 | 24.9° | 180.0° |
| H19 | C19 | N25 | H25 | 155.1° | 0.1° |
| C22 | N23 | C32 | H23 | 179.9° | 179.9° |
| C22 | N23 | C32 | C33 | 65.4° | 77.5° |
| C22 | N23 | C32 | C49 | 175.4° | 163.2° |
| C22 | N23 | C32 | H32 | 54.8° | 42.8° |
| O24 | C22 | N23 | C32 | 10.1° | 0.0° |
| O24 | C22 | N23 | H23 | 169.9° | 179.9° |
| N23 | C32 | C33 | C49 | 115.2° | 119.9° |
| N23 | C32 | C33 | H32 | 123.8° | 120.4° |
| N23 | C32 | C49 | H32 | 123.8° | 120.5° |
| N23 | C32 | C33 | N34 | 176.1° | 48.9° |
| N23 | C32 | C33 | O37 | 6.2° | 131.6° |
| N23 | C32 | C49 | C46 | 166.5° | 34.8° |
| N23 | C32 | C49 | H491 | 41.2° | 155.0° |
| N23 | C32 | C49 | H492 | 68.3° | 85.5° |
| H23 | N23 | C32 | C33 | 114.5° | 102.6° |
| H23 | N23 | C32 | C49 | 4.7° | 16.7° |
| H23 | N23 | C32 | H32 | 125.2° | 137.1° |
| N25 | C26 | O27 | C28 | 177.1° | 180.0° |
| N25 | C26 | C28 | H281 | 180.0° | 180.0° |
| N25 | C26 | C28 | H282 | 54.7° | 60.0° |
| N25 | C26 | C28 | H283 | 54.7° | 60.0° |
| H25 | N25 | C26 | O27 | 172.4° | 179.9° |
| H25 | N25 | C26 | C28 | 10.3° | 0.1° |
| O27 | C26 | C28 | H281 | 2.7° | 0.0° |
| O27 | C26 | C28 | H282 | 128.0° | 120.0° |
| O27 | C26 | C28 | H283 | 122.6° | 120.0° |
| C26 | C28 | H281 | H282 | 125.3° | 120.0° |
| C26 | C28 | H281 | H283 | 125.2° | 120.1° |
| C26 | C28 | H282 | H283 | 116.1° | 120.1° |
| H281 | C28 | H282 | H283 | 116.2° | 119.9° |
| C33 | C32 | C49 | H32 | 120.5° | 119.7° |
| C32 | C33 | N34 | O37 | 177.8° | 179.6° |
| C32 | C33 | N34 | C38 | 5.2° | 0.7° |
| C32 | C33 | N34 | C42 | 174.9° | 179.6° |
| C33 | C32 | C49 | C46 | 77.8° | 85.1° |
| C33 | C32 | C49 | H491 | 156.9° | 35.2° |
| C33 | C32 | C49 | H492 | 47.4° | 154.6° |
| C49 | C32 | C33 | N34 | 68.7° | 71.0° |
| C49 | C32 | C33 | O37 | 109.1° | 108.5° |
| C32 | C49 | C46 | C39 | 60.0° | 66.8° |
| C32 | C49 | C46 | H491 | 125.3° | 120.3° |
| C32 | C49 | C46 | H492 | 125.3° | 120.3° |
| C32 | C49 | C46 | H461 | 174.8° | 172.1° |
| C32 | C49 | C46 | H462 | 65.3° | 54.3° |
| C32 | C49 | H491 | H492 | 115.4° | 119.5° |
| H32 | C32 | C33 | N34 | 52.3° | 169.2° |
| H32 | C32 | C33 | O37 | 130.0° | 11.2° |
| H32 | C32 | C49 | C46 | 42.7° | 155.2° |
| H32 | C32 | C49 | H491 | 82.6° | 84.5° |
| H32 | C32 | C49 | H492 | 168.0° | 34.9° |
| C33 | N34 | C38 | C42 | 170.3° | 179.8° |
| C33 | N34 | C38 | C39 | 66.9° | 72.1° |
| C33 | N34 | C38 | H381 | 167.9° | 168.1° |
| C33 | N34 | C38 | H382 | 58.3° | 47.6° |
| C33 | N34 | C42 | C43 | 95.7° | 89.8° |
| C33 | N34 | C42 | H421 | 29.5° | 150.2° |
| C33 | N34 | C42 | H422 | 139.1° | 30.3° |
| O37 | C33 | N34 | C38 | 172.6° | 179.8° |
| O37 | C33 | N34 | C42 | 2.8° | 0.0° |
| N34 | C38 | C39 | H381 | 125.2° | 119.8° |
| N34 | C38 | C39 | H382 | 125.3° | 119.8° |
| N34 | C38 | H381 | H382 | 117.8° | 120.4° |
| N34 | C38 | C39 | C46 | 86.4° | 86.5° |
| N34 | C38 | C39 | H391 | 38.8° | 33.9° |
| N34 | C38 | C39 | H392 | 148.3° | 153.2° |
| C38 | N34 | C42 | C43 | 75.0° | 90.0° |
| C38 | N34 | C42 | H421 | 159.7° | 30.1° |
| C38 | N34 | C42 | H422 | 50.2° | 150.0° |
| C42 | N34 | C38 | C39 | 103.4° | 108.1° |
| C42 | N34 | C38 | H381 | 21.8° | 11.7° |
| C42 | N34 | C38 | H382 | 131.4° | 132.2° |
| N34 | C42 | C43 | H421 | 125.3° | 120.0° |
| N34 | C42 | C43 | H422 | 125.2° | 120.0° |
| N34 | C42 | H421 | H422 | 117.4° | 119.9° |
| N34 | C42 | C43 | C58 | 68.0° | 90.2° |
| N34 | C42 | C43 | C62 | 109.6° | 90.0° |
| C39 | C38 | H381 | H382 | 117.8° | 120.4° |
| C38 | C39 | C46 | H391 | 125.2° | 120.4° |
| C38 | C39 | C46 | H392 | 125.3° | 120.3° |
| C38 | C39 | H391 | H392 | 117.4° | 119.3° |
| C38 | C39 | C46 | C49 | 64.7° | 67.0° |
| C38 | C39 | C46 | H461 | 170.1° | 171.8° |
| C38 | C39 | C46 | H462 | 60.6° | 54.1° |
| H381 | C38 | C39 | C46 | 148.3° | 153.8° |
| H381 | C38 | C39 | H391 | 86.4° | 85.9° |
| H381 | C38 | C39 | H392 | 23.0° | 33.4° |
| H382 | C38 | C39 | C46 | 38.8° | 33.3° |
| H382 | C38 | C39 | H391 | 164.1° | 153.7° |
| H382 | C38 | C39 | H392 | 86.5° | 87.0° |
| C46 | C39 | H391 | H392 | 117.3° | 119.3° |
| C39 | C46 | C49 | H461 | 125.2° | 121.1° |
| C39 | C46 | C49 | H462 | 125.3° | 121.1° |
| C39 | C46 | H461 | H462 | 116.3° | 117.8° |
| C39 | C46 | C49 | H491 | 174.7° | 53.5° |
| C39 | C46 | C49 | H492 | 65.3° | 172.9° |
| H391 | C39 | C46 | C49 | 60.6° | 53.4° |
| H391 | C39 | C46 | H461 | 64.6° | 67.8° |
| H391 | C39 | C46 | H462 | 174.1° | 174.5° |
| H392 | C39 | C46 | C49 | 170.0° | 172.6° |
| H392 | C39 | C46 | H461 | 44.8° | 51.5° |
| H392 | C39 | C46 | H462 | 64.7° | 66.2° |
| C43 | C42 | H421 | H422 | 117.4° | 120.0° |
| C42 | C43 | C58 | C62 | 177.6° | 179.8° |
| C42 | C43 | C58 | C59 | 179.2° | 179.8° |
| C42 | C43 | C58 | H58 | 0.8° | 0.2° |
| C42 | C43 | C62 | C61 | 179.9° | 180.0° |
| C42 | C43 | C62 | H62 | 0.0° | 0.0° |
| H421 | C42 | C43 | C58 | 57.3° | 29.8° |
| H421 | C42 | C43 | C62 | 125.1° | 150.0° |
| H422 | C42 | C43 | C58 | 166.8° | 149.7° |
| H422 | C42 | C43 | C62 | 15.6° | 30.1° |
| C43 | C58 | C59 | H58 | 180.0° | 179.6° |
| C43 | C58 | C59 | C60 | 0.6° | 0.5° |
| C43 | C58 | C59 | H59 | 179.4° | 179.7° |
| C58 | C43 | C62 | C61 | 2.5° | 0.2° |
| C58 | C43 | C62 | H62 | 177.5° | 179.8° |
| C62 | C43 | C58 | C59 | 1.6° | 0.4° |
| C62 | C43 | C58 | H58 | 178.3° | 180.0° |
| C43 | C62 | C61 | C60 | 1.2° | 0.1° |
| C43 | C62 | C61 | H62 | 180.0° | 179.9° |
| C43 | C62 | C61 | H61 | 178.8° | 180.0° |
| C49 | C46 | H461 | H462 | 116.3° | 117.9° |
| C46 | C49 | H491 | H492 | 115.4° | 119.3° |
| H461 | C46 | C49 | H491 | 49.5° | 67.7° |
| H461 | C46 | C49 | H492 | 59.9° | 51.7° |
| H462 | C46 | C49 | H491 | 60.0° | 174.6° |
| H462 | C46 | C49 | H492 | 169.4° | 66.1° |
| C58 | C59 | C60 | H59 | 180.0° | 179.8° |
| C58 | C59 | C60 | C61 | 2.0° | 0.2° |
| C58 | C59 | C60 | C67 | 179.1° | 179.8° |
| H58 | C58 | C59 | C60 | 179.4° | 180.0° |
| H58 | C58 | C59 | H59 | 0.6° | 0.2° |
| C59 | C60 | C61 | C67 | 177.0° | 179.9° |
| C59 | C60 | C61 | C62 | 1.1° | 0.1° |
| C59 | C60 | C61 | H61 | 178.9° | 180.0° |
| C59 | C60 | C67 | C68 | 143.8° | 140.0° |
| C59 | C60 | C67 | C72 | 39.8° | 39.7° |
| H59 | C59 | C60 | C61 | 178.0° | 180.0° |
| H59 | C59 | C60 | C67 | 0.9° | 0.0° |
| C60 | C61 | C62 | H61 | 180.0° | 179.9° |
| C60 | C61 | C62 | H62 | 178.9° | 180.0° |
| C61 | C60 | C67 | C68 | 38.9° | 40.1° |
| C61 | C60 | C67 | C72 | 137.4° | 140.3° |
| C67 | C60 | C61 | C62 | 178.1° | 180.0° |
| C67 | C60 | C61 | H61 | 1.9° | 0.1° |
| C60 | C67 | C68 | C72 | 176.4° | 179.6° |
| C60 | C67 | C68 | C69 | 179.9° | 179.7° |
| C60 | C67 | C68 | H68 | 0.1° | 0.3° |
| C60 | C67 | C72 | C71 | 178.8° | 180.0° |
| C60 | C67 | C72 | H72 | 1.3° | 0.1° |
| H61 | C61 | C62 | H62 | 1.1° | 0.1° |
| C67 | C68 | C69 | H68 | 180.0° | 179.4° |
| C67 | C68 | C69 | C70 | 0.8° | 0.6° |
| C67 | C68 | C69 | H69 | 179.2° | 179.7° |
| C68 | C67 | C72 | C71 | 2.3° | 0.4° |
| C68 | C67 | C72 | H72 | 177.8° | 179.7° |
| C72 | C67 | C68 | C69 | 3.5° | 0.7° |
| C72 | C67 | C68 | H68 | 176.5° | 180.0° |
| C67 | C72 | C71 | C70 | 1.7° | 0.0° |
| C67 | C72 | C71 | H72 | 180.0° | 179.9° |
| C67 | C72 | C71 | H71 | 178.3° | 179.9° |
| C68 | C69 | C70 | H69 | 180.0° | 179.7° |
| C68 | C69 | C70 | C71 | 3.3° | 0.3° |
| C68 | C69 | C70 | H70 | 176.7° | 179.7° |
| H68 | C68 | C69 | C70 | 179.2° | 180.0° |
| H68 | C68 | C69 | H69 | 0.8° | 0.3° |
| C69 | C70 | C71 | H70 | 180.0° | 180.0° |
| C69 | C70 | C71 | C72 | 4.5° | 0.0° |
| C69 | C70 | C71 | H71 | 175.5° | 179.9° |
| H69 | C69 | C70 | C71 | 176.7° | 180.0° |
| H69 | C69 | C70 | H70 | 3.3° | 0.0° |
| C70 | C71 | C72 | H71 | 180.0° | 179.9° |
| C70 | C71 | C72 | H72 | 178.2° | 179.9° |
| H70 | C70 | C71 | C72 | 175.4° | 180.0° |
| H70 | C70 | C71 | H71 | 4.5° | 0.1° |
| H71 | C71 | C72 | H72 | 1.8° | 0.0° |
