SEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | N4 | sing | 1.47Å | 1.48Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C15 | C22 | sing | 1.48Å | 1.50Å | |
| C15 | N4 | sing | 1.35Å | 1.38Å | |
| C15 | O16 | doub | 1.21Å | 1.24Å | |
| C19 | C20 | doub | 1.39Å | 1.44Å | Aromatic |
| C19 | C27 | sing | 1.48Å | 1.47Å | |
| C19 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | H201 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.40Å | 1.43Å | Aromatic |
| C21 | H211 | sing | 1.08Å | 1.10Å | |
| C22 | C17 | sing | 1.39Å | 1.43Å | Aromatic |
| C27 | N28 | sing | 1.35Å | 1.35Å | |
| C27 | O81 | doub | 1.22Å | 1.23Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C35 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C35 | H353 | sing | 1.09Å | 1.12Å | |
| O1 | C6 | sing | 1.43Å | 1.44Å | |
| N4 | C5 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.10Å | |
| C18 | H182 | sing | 1.08Å | 1.10Å | |
| N28 | C29 | sing | 1.46Å | 1.48Å | |
| N28 | H281 | sing | 0.97Å | 1.02Å | |
| C29 | C40 | sing | 1.50Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C40 | O42 | doub | 1.21Å | 1.24Å | |
| C40 | N54 | sing | 1.35Å | 1.38Å | |
| C44 | C47 | sing | 1.54Å | 1.52Å | |
| C44 | C52 | sing | 1.51Å | 1.53Å | |
| C44 | N54 | sing | 1.47Å | 1.48Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C45 | C46 | sing | 1.55Å | 1.52Å | |
| C45 | N54 | sing | 1.47Å | 1.50Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C46 | C47 | sing | 1.55Å | 1.50Å | |
| C46 | H461 | sing | 1.09Å | 1.12Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| C47 | H471 | sing | 1.09Å | 1.12Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C52 | N53 | sing | 1.35Å | 1.35Å | |
| C52 | O58 | doub | 1.21Å | 1.24Å | |
| N53 | C59 | sing | 1.46Å | 1.47Å | |
| N53 | H531 | sing | 0.97Å | 1.02Å | |
| C59 | C61 | sing | 1.53Å | 1.56Å | |
| C59 | C71 | sing | 1.51Å | 1.54Å | |
| C59 | H591 | sing | 1.09Å | 1.12Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C61 | C66 | sing | 1.53Å | 1.51Å | |
| C61 | H611 | sing | 1.09Å | 1.12Å | |
| C62 | H621 | sing | 1.09Å | 1.11Å | |
| C62 | H622 | sing | 1.09Å | 1.11Å | |
| C62 | H623 | sing | 1.09Å | 1.11Å | |
| C66 | H661 | sing | 1.09Å | 1.11Å | |
| C66 | H662 | sing | 1.09Å | 1.12Å | |
| C66 | H663 | sing | 1.09Å | 1.11Å | |
| C71 | C73 | sing | 1.51Å | 1.67Å | |
| C71 | O74 | doub | 1.21Å | 1.23Å | |
| C73 | F75 | sing | 1.40Å | 1.39Å | |
| C73 | F76 | sing | 1.40Å | 1.35Å | |
| C73 | C77 | sing | 1.53Å | 1.51Å | |
| C77 | F78 | sing | 1.40Å | 1.35Å | |
| C77 | F79 | sing | 1.40Å | 1.32Å | |
| C77 | F80 | sing | 1.40Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | O1 | 113.5° | 109.6° |
| C3 | C2 | H21 | 110.7° | 109.5° |
| C3 | C2 | H22 | 110.7° | 109.4° |
| C2 | C3 | N4 | 113.6° | 108.2° |
| C2 | C3 | H31 | 110.7° | 109.7° |
| C2 | C3 | H32 | 110.7° | 109.8° |
| O1 | C2 | H21 | 110.7° | 109.5° |
| O1 | C2 | H22 | 110.7° | 109.4° |
| C2 | O1 | C6 | 118.5° | 107.7° |
| H21 | C2 | H22 | 99.6° | 109.4° |
| N4 | C3 | H31 | 110.7° | 109.7° |
| N4 | C3 | H32 | 110.7° | 109.8° |
| C3 | N4 | C15 | 120.4° | 121.2° |
| C3 | N4 | C5 | 115.3° | 117.5° |
| H31 | C3 | H32 | 99.6° | 109.7° |
| C22 | C15 | N4 | 115.8° | 120.0° |
| C22 | C15 | O16 | 122.1° | 120.0° |
| C15 | C22 | C21 | 121.4° | 120.0° |
| C15 | C22 | C17 | 118.2° | 120.1° |
| N4 | C15 | O16 | 122.1° | 120.0° |
| C15 | N4 | C5 | 124.2° | 121.3° |
| C20 | C19 | C27 | 118.5° | 120.0° |
| C20 | C19 | C18 | 121.1° | 120.0° |
| C19 | C20 | C21 | 119.4° | 120.0° |
| C19 | C20 | H201 | 121.4° | 120.0° |
| C27 | C19 | C18 | 120.3° | 120.0° |
| C19 | C27 | N28 | 116.7° | 120.0° |
| C19 | C27 | O81 | 121.1° | 120.0° |
| C19 | C18 | C17 | 119.2° | 119.9° |
| C19 | C18 | H182 | 120.9° | 120.0° |
| C21 | C20 | H201 | 119.3° | 120.0° |
| C20 | C21 | C22 | 119.6° | 120.0° |
| C20 | C21 | H211 | 119.5° | 120.0° |
| C22 | C21 | H211 | 121.0° | 120.0° |
| C21 | C22 | C17 | 120.3° | 119.9° |
| C22 | C17 | C18 | 120.1° | 120.1° |
| C22 | C17 | H171 | 120.9° | 119.9° |
| N28 | C27 | O81 | 122.1° | 120.0° |
| C27 | N28 | C29 | 119.8° | 120.0° |
| C27 | N28 | H281 | 115.6° | 120.0° |
| C31 | C30 | C35 | 110.0° | 109.5° |
| C31 | C30 | C29 | 110.0° | 109.5° |
| C31 | C30 | H301 | 109.0° | 109.5° |
| C30 | C31 | H311 | 110.1° | 109.5° |
| C30 | C31 | H312 | 112.0° | 109.5° |
| C30 | C31 | H313 | 112.0° | 109.5° |
| C35 | C30 | C29 | 110.4° | 109.5° |
| C35 | C30 | H301 | 108.6° | 109.5° |
| C30 | C35 | H351 | 110.1° | 109.5° |
| C30 | C35 | H352 | 112.0° | 109.5° |
| C30 | C35 | H353 | 112.0° | 109.5° |
| C29 | C30 | H301 | 108.6° | 109.5° |
| C30 | C29 | N28 | 109.8° | 109.5° |
| C30 | C29 | C40 | 110.0° | 109.5° |
| C30 | C29 | H291 | 108.8° | 109.4° |
| H311 | C31 | H312 | 112.0° | 109.4° |
| H311 | C31 | H313 | 112.0° | 109.5° |
| H312 | C31 | H313 | 98.4° | 109.4° |
| H351 | C35 | H352 | 112.0° | 109.5° |
| H351 | C35 | H353 | 112.0° | 109.5° |
| H352 | C35 | H353 | 98.4° | 109.4° |
| O1 | C6 | C5 | 113.4° | 109.7° |
| O1 | C6 | H61 | 110.8° | 109.5° |
| O1 | C6 | H62 | 110.8° | 109.5° |
| N4 | C5 | C6 | 107.9° | 108.4° |
| N4 | C5 | H51 | 112.8° | 109.8° |
| N4 | C5 | H52 | 112.8° | 109.5° |
| C6 | C5 | H51 | 112.8° | 109.7° |
| C6 | C5 | H52 | 112.8° | 109.7° |
| C5 | C6 | H61 | 110.8° | 109.5° |
| C5 | C6 | H62 | 110.7° | 109.3° |
| H51 | C5 | H52 | 97.6° | 109.8° |
| H61 | C6 | H62 | 99.5° | 109.4° |
| C18 | C17 | H171 | 119.0° | 120.0° |
| C17 | C18 | H182 | 119.9° | 120.1° |
| C29 | N28 | H281 | 124.5° | 120.0° |
| N28 | C29 | C40 | 109.2° | 109.4° |
| N28 | C29 | H291 | 109.6° | 109.4° |
| C40 | C29 | H291 | 109.4° | 109.6° |
| C29 | C40 | O42 | 120.7° | 120.1° |
| C29 | C40 | N54 | 115.5° | 120.0° |
| O42 | C40 | N54 | 123.8° | 119.9° |
| C40 | N54 | C44 | 117.9° | 125.7° |
| C40 | N54 | C45 | 127.9° | 125.7° |
| C47 | C44 | C52 | 112.0° | 109.8° |
| C47 | C44 | N54 | 102.8° | 107.2° |
| C47 | C44 | H441 | 112.3° | 109.9° |
| C44 | C47 | C46 | 110.9° | 103.0° |
| C44 | C47 | H471 | 111.7° | 110.8° |
| C44 | C47 | H472 | 111.7° | 110.5° |
| C52 | C44 | N54 | 109.6° | 110.2° |
| C52 | C44 | H441 | 105.8° | 110.0° |
| C44 | C52 | N53 | 114.5° | 120.0° |
| C44 | C52 | O58 | 121.1° | 120.0° |
| N54 | C44 | H441 | 114.6° | 109.6° |
| C44 | N54 | C45 | 113.9° | 108.7° |
| C46 | C45 | N54 | 104.5° | 104.9° |
| C46 | C45 | H451 | 114.1° | 110.3° |
| C46 | C45 | H452 | 114.1° | 110.4° |
| C45 | C46 | C47 | 107.3° | 101.6° |
| C45 | C46 | H461 | 113.0° | 111.0° |
| C45 | C46 | H462 | 113.0° | 111.1° |
| N54 | C45 | H451 | 114.1° | 110.4° |
| N54 | C45 | H452 | 114.1° | 110.3° |
| H451 | C45 | H452 | 96.3° | 110.4° |
| C47 | C46 | H461 | 113.1° | 111.0° |
| C47 | C46 | H462 | 113.0° | 111.0° |
| C46 | C47 | H471 | 111.7° | 110.8° |
| C46 | C47 | H472 | 111.7° | 110.7° |
| H461 | C46 | H462 | 97.4° | 110.9° |
| H471 | C47 | H472 | 98.7° | 110.8° |
| N53 | C52 | O58 | 124.3° | 120.0° |
| C52 | N53 | C59 | 115.4° | 120.0° |
| C52 | N53 | H531 | 118.3° | 120.0° |
| C59 | N53 | H531 | 126.3° | 120.0° |
| N53 | C59 | C61 | 109.5° | 109.4° |
| N53 | C59 | C71 | 121.4° | 109.6° |
| N53 | C59 | H591 | 100.7° | 109.4° |
| C61 | C59 | C71 | 109.7° | 109.5° |
| C61 | C59 | H591 | 114.8° | 109.5° |
| C59 | C61 | C62 | 111.4° | 109.5° |
| C59 | C61 | C66 | 110.2° | 109.4° |
| C59 | C61 | H611 | 107.9° | 109.4° |
| C71 | C59 | H591 | 100.4° | 109.5° |
| C59 | C71 | C73 | 115.1° | 120.0° |
| C59 | C71 | O74 | 120.4° | 120.0° |
| C62 | C61 | C66 | 110.4° | 109.5° |
| C62 | C61 | H611 | 107.8° | 109.5° |
| C61 | C62 | H621 | 111.4° | 109.6° |
| C61 | C62 | H622 | 111.5° | 109.5° |
| C61 | C62 | H623 | 111.5° | 109.5° |
| C66 | C61 | H611 | 109.1° | 109.5° |
| C61 | C66 | H661 | 110.2° | 109.5° |
| C61 | C66 | H662 | 112.0° | 109.5° |
| C61 | C66 | H663 | 111.9° | 109.5° |
| H621 | C62 | H622 | 111.5° | 109.4° |
| H621 | C62 | H623 | 111.6° | 109.4° |
| H622 | C62 | H623 | 98.9° | 109.4° |
| H661 | C66 | H662 | 111.9° | 109.5° |
| H661 | C66 | H663 | 112.0° | 109.5° |
| H662 | C66 | H663 | 98.4° | 109.4° |
| C73 | C71 | O74 | 121.3° | 120.0° |
| C71 | C73 | F75 | 119.4° | 109.4° |
| C71 | C73 | F76 | 109.4° | 109.5° |
| C71 | C73 | C77 | 110.7° | 109.5° |
| F75 | C73 | F76 | 107.8° | 109.5° |
| F75 | C73 | C77 | 101.0° | 109.5° |
| F76 | C73 | C77 | 107.7° | 109.5° |
| C73 | C77 | F78 | 106.5° | 109.4° |
| C73 | C77 | F79 | 106.6° | 109.5° |
| C73 | C77 | F80 | 111.4° | 109.5° |
| F78 | C77 | F79 | 110.8° | 109.4° |
| F78 | C77 | F80 | 111.7° | 109.5° |
| F79 | C77 | F80 | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | O1 | H21 | 125.3° | 120.1° |
| C3 | C2 | O1 | H22 | 125.2° | 120.0° |
| C3 | C2 | H21 | H22 | 116.6° | 119.9° |
| C2 | C3 | N4 | H31 | 125.2° | 119.6° |
| C2 | C3 | N4 | H32 | 125.3° | 119.8° |
| C2 | C3 | H31 | H32 | 116.6° | 120.7° |
| C2 | C3 | N4 | C15 | 162.1° | 132.9° |
| C3 | C2 | O1 | C6 | 40.8° | 68.7° |
| C2 | C3 | N4 | C5 | 13.1° | 46.8° |
| O1 | C2 | H21 | H22 | 116.6° | 119.9° |
| O1 | C2 | C3 | N4 | 35.9° | 55.8° |
| O1 | C2 | C3 | H31 | 89.4° | 63.8° |
| O1 | C2 | C3 | H32 | 161.1° | 175.5° |
| C2 | O1 | C6 | C5 | 3.8° | 68.6° |
| C2 | O1 | C6 | H61 | 129.1° | 171.2° |
| C2 | O1 | C6 | H62 | 121.5° | 51.3° |
| H21 | C2 | C3 | N4 | 89.4° | 175.9° |
| H21 | C2 | C3 | H31 | 145.4° | 56.3° |
| H21 | C2 | C3 | H32 | 35.9° | 64.4° |
| H21 | C2 | O1 | C6 | 84.4° | 171.2° |
| H22 | C2 | C3 | N4 | 161.1° | 64.2° |
| H22 | C2 | C3 | H31 | 35.9° | 176.1° |
| H22 | C2 | C3 | H32 | 73.7° | 55.5° |
| H22 | C2 | O1 | C6 | 166.1° | 51.3° |
| N4 | C3 | H31 | H32 | 116.6° | 120.6° |
| C3 | N4 | C15 | C22 | 160.1° | 173.6° |
| C3 | N4 | C15 | C5 | 174.8° | 179.7° |
| C3 | N4 | C15 | O16 | 21.1° | 6.3° |
| C3 | N4 | C5 | C6 | 56.1° | 46.7° |
| C3 | N4 | C5 | H51 | 178.7° | 166.6° |
| C3 | N4 | C5 | H52 | 69.2° | 72.8° |
| H31 | C3 | N4 | C15 | 36.8° | 107.5° |
| H31 | C3 | N4 | C5 | 138.4° | 72.8° |
| H32 | C3 | N4 | C15 | 72.6° | 13.2° |
| H32 | C3 | N4 | C5 | 112.1° | 166.6° |
| C22 | C15 | N4 | O16 | 178.8° | 180.0° |
| C15 | C22 | C21 | C20 | 171.1° | 180.0° |
| C15 | C22 | C21 | C17 | 177.1° | 179.9° |
| C15 | C22 | C21 | H211 | 8.9° | 0.0° |
| C22 | C15 | N4 | C5 | 14.7° | 6.7° |
| C15 | C22 | C17 | C18 | 170.9° | 179.8° |
| C15 | C22 | C17 | H171 | 9.1° | 0.0° |
| N4 | C15 | C22 | C21 | 69.1° | 144.5° |
| N4 | C15 | C22 | C17 | 113.8° | 35.5° |
| C15 | N4 | C5 | C6 | 118.9° | 133.0° |
| C15 | N4 | C5 | H51 | 6.3° | 13.1° |
| C15 | N4 | C5 | H52 | 115.8° | 107.4° |
| O16 | C15 | C22 | C21 | 112.1° | 35.5° |
| O16 | C15 | C22 | C17 | 65.1° | 144.5° |
| O16 | C15 | N4 | C5 | 164.1° | 173.3° |
| C20 | C19 | C27 | C18 | 177.9° | 179.7° |
| C19 | C20 | C21 | H201 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 2.2° | 0.0° |
| C19 | C20 | C21 | H211 | 177.8° | 179.9° |
| C20 | C19 | C27 | N28 | 147.9° | 179.9° |
| C20 | C19 | C27 | O81 | 31.4° | 0.0° |
| C20 | C19 | C18 | C17 | 1.1° | 0.6° |
| C20 | C19 | C18 | H182 | 178.9° | 180.0° |
| C27 | C19 | C20 | C21 | 179.2° | 180.0° |
| C27 | C19 | C20 | H201 | 0.8° | 0.1° |
| C19 | C27 | N28 | O81 | 179.3° | 180.0° |
| C27 | C19 | C18 | C17 | 179.0° | 179.7° |
| C27 | C19 | C18 | H182 | 1.0° | 0.3° |
| C19 | C27 | N28 | C29 | 173.4° | 180.0° |
| C19 | C27 | N28 | H281 | 6.6° | 0.1° |
| C18 | C19 | C20 | C21 | 1.4° | 0.3° |
| C18 | C19 | C20 | H201 | 178.6° | 179.8° |
| C19 | C18 | C17 | C22 | 2.7° | 0.6° |
| C18 | C19 | C27 | N28 | 34.2° | 0.3° |
| C18 | C19 | C27 | O81 | 146.5° | 179.7° |
| C19 | C18 | C17 | H182 | 180.0° | 179.4° |
| C19 | C18 | C17 | H171 | 177.3° | 179.7° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C17 | 6.0° | 0.0° |
| H201 | C20 | C21 | C22 | 177.8° | 179.9° |
| H201 | C20 | C21 | H211 | 2.2° | 0.1° |
| C21 | C22 | C17 | C18 | 6.3° | 0.3° |
| C21 | C22 | C17 | H171 | 173.7° | 179.9° |
| H211 | C21 | C22 | C17 | 174.0° | 180.0° |
| C22 | C17 | C18 | H171 | 180.0° | 179.8° |
| C22 | C17 | C18 | H182 | 177.3° | 180.0° |
| C27 | N28 | C29 | C30 | 118.0° | 89.9° |
| C27 | N28 | C29 | H281 | 180.0° | 179.9° |
| C27 | N28 | C29 | C40 | 121.3° | 150.1° |
| C27 | N28 | C29 | H291 | 1.5° | 30.0° |
| O81 | C27 | N28 | C29 | 5.9° | 0.0° |
| O81 | C27 | N28 | H281 | 174.1° | 180.0° |
| C31 | C30 | C35 | C29 | 121.7° | 120.0° |
| C31 | C30 | C35 | H301 | 119.3° | 120.0° |
| C31 | C30 | C29 | H301 | 119.3° | 120.0° |
| C30 | C31 | H311 | H312 | 125.3° | 119.9° |
| C30 | C31 | H311 | H313 | 125.3° | 120.1° |
| C30 | C31 | H312 | H313 | 117.9° | 120.0° |
| C31 | C30 | C35 | H351 | 180.0° | 53.8° |
| C31 | C30 | C35 | H352 | 54.7° | 173.9° |
| C31 | C30 | C35 | H353 | 54.7° | 66.2° |
| C31 | C30 | C29 | N28 | 61.7° | 61.6° |
| C31 | C30 | C29 | C40 | 178.0° | 58.3° |
| C31 | C30 | C29 | H291 | 58.2° | 178.5° |
| C35 | C30 | C29 | H301 | 119.0° | 120.0° |
| C35 | C30 | C31 | H311 | 180.0° | 60.1° |
| C35 | C30 | C31 | H312 | 54.7° | 180.0° |
| C35 | C30 | C31 | H313 | 54.7° | 60.0° |
| C30 | C35 | H351 | H352 | 125.3° | 120.0° |
| C30 | C35 | H351 | H353 | 125.3° | 120.1° |
| C30 | C35 | H352 | H353 | 117.9° | 120.0° |
| C35 | C30 | C29 | N28 | 176.6° | 178.4° |
| C35 | C30 | C29 | C40 | 56.4° | 61.6° |
| C35 | C30 | C29 | H291 | 63.5° | 58.5° |
| C29 | C30 | C31 | H311 | 58.0° | 180.0° |
| C29 | C30 | C31 | H312 | 176.6° | 60.1° |
| C29 | C30 | C31 | H313 | 67.2° | 59.9° |
| C29 | C30 | C35 | H351 | 58.3° | 66.1° |
| C29 | C30 | C35 | H352 | 67.0° | 53.9° |
| C29 | C30 | C35 | H353 | 176.4° | 173.8° |
| C30 | C29 | N28 | C40 | 120.7° | 120.0° |
| C30 | C29 | N28 | H291 | 119.5° | 119.9° |
| C30 | C29 | N28 | H281 | 62.0° | 90.0° |
| C30 | C29 | C40 | H291 | 119.5° | 120.0° |
| C30 | C29 | C40 | O42 | 41.1° | 81.4° |
| C30 | C29 | C40 | N54 | 140.2° | 98.6° |
| H301 | C30 | C31 | H311 | 61.0° | 59.9° |
| H301 | C30 | C31 | H312 | 64.3° | 60.0° |
| H301 | C30 | C31 | H313 | 173.7° | 180.0° |
| H301 | C30 | C35 | H351 | 60.8° | 173.9° |
| H301 | C30 | C35 | H352 | 174.0° | 66.1° |
| H301 | C30 | C35 | H353 | 64.5° | 53.8° |
| H301 | C30 | C29 | N28 | 57.6° | 58.4° |
| H301 | C30 | C29 | C40 | 62.7° | 178.4° |
| H301 | C30 | C29 | H291 | 177.5° | 61.5° |
| H311 | C31 | H312 | H313 | 117.8° | 120.0° |
| H351 | C35 | H352 | H353 | 117.9° | 120.0° |
| O1 | C6 | C5 | N4 | 51.8° | 55.6° |
| O1 | C6 | C5 | H61 | 125.3° | 120.1° |
| O1 | C6 | C5 | H62 | 125.3° | 120.0° |
| O1 | C6 | C5 | H51 | 177.0° | 175.5° |
| O1 | C6 | C5 | H52 | 73.6° | 63.8° |
| O1 | C6 | H61 | H62 | 116.6° | 120.0° |
| N4 | C5 | C6 | H51 | 125.3° | 119.9° |
| N4 | C5 | C6 | H52 | 125.3° | 119.4° |
| N4 | C5 | H51 | H52 | 118.8° | 120.4° |
| N4 | C5 | C6 | H61 | 177.1° | 175.7° |
| N4 | C5 | C6 | H62 | 73.5° | 64.4° |
| C6 | C5 | H51 | H52 | 118.7° | 120.6° |
| C5 | C6 | H61 | H62 | 116.6° | 119.8° |
| H51 | C5 | C6 | H61 | 57.7° | 64.4° |
| H51 | C5 | C6 | H62 | 51.7° | 55.5° |
| H52 | C5 | C6 | H61 | 51.7° | 56.3° |
| H52 | C5 | C6 | H62 | 161.1° | 176.1° |
| H171 | C17 | C18 | H182 | 2.7° | 0.2° |
| N28 | C29 | C40 | H291 | 120.0° | 120.0° |
| N28 | C29 | C40 | O42 | 79.4° | 38.5° |
| N28 | C29 | C40 | N54 | 99.2° | 141.4° |
| H281 | N28 | C29 | C40 | 58.7° | 30.0° |
| H281 | N28 | C29 | H291 | 178.5° | 150.1° |
| C29 | C40 | O42 | N54 | 178.5° | 180.0° |
| C29 | C40 | N54 | C44 | 172.1° | 174.2° |
| C29 | C40 | N54 | C45 | 1.4° | 5.6° |
| H291 | C29 | C40 | O42 | 160.6° | 158.5° |
| H291 | C29 | C40 | N54 | 20.7° | 21.4° |
| O42 | C40 | N54 | C44 | 9.3° | 5.8° |
| O42 | C40 | N54 | C45 | 177.2° | 174.4° |
| C40 | N54 | C44 | C47 | 179.8° | 178.8° |
| C40 | N54 | C44 | C52 | 60.9° | 61.6° |
| C40 | N54 | C44 | C45 | 174.4° | 179.8° |
| C40 | N54 | C44 | H441 | 57.8° | 59.5° |
| C40 | N54 | C45 | C46 | 177.9° | 155.9° |
| C40 | N54 | C45 | H451 | 56.8° | 37.0° |
| C40 | N54 | C45 | H452 | 52.6° | 85.2° |
| C47 | C44 | C52 | N54 | 113.4° | 118.0° |
| C47 | C44 | C52 | H441 | 122.6° | 121.1° |
| C47 | C44 | N54 | H441 | 122.1° | 119.3° |
| C44 | C47 | C46 | C45 | 4.2° | 35.3° |
| C47 | C44 | N54 | C45 | 5.7° | 1.3° |
| C44 | C47 | C46 | H471 | 125.3° | 118.5° |
| C44 | C47 | C46 | H472 | 125.3° | 118.2° |
| C44 | C47 | C46 | H461 | 121.0° | 82.8° |
| C44 | C47 | C46 | H462 | 129.5° | 153.4° |
| C44 | C47 | H471 | H472 | 117.6° | 123.0° |
| C47 | C44 | C52 | N53 | 96.4° | 61.5° |
| C47 | C44 | C52 | O58 | 85.3° | 118.6° |
| C52 | C44 | N54 | H441 | 118.7° | 121.2° |
| C52 | C44 | N54 | C45 | 113.5° | 118.2° |
| C52 | C44 | C47 | C46 | 116.8° | 141.7° |
| C52 | C44 | C47 | H471 | 8.4° | 99.8° |
| C52 | C44 | C47 | H472 | 117.9° | 23.4° |
| C44 | C52 | N53 | O58 | 178.3° | 179.9° |
| C44 | C52 | N53 | C59 | 178.0° | 180.0° |
| C44 | C52 | N53 | H531 | 2.0° | 0.1° |
| C44 | N54 | C45 | C46 | 8.4° | 24.3° |
| C44 | N54 | C45 | H451 | 116.9° | 143.2° |
| C44 | N54 | C45 | H452 | 133.7° | 94.6° |
| N54 | C44 | C47 | C46 | 0.7° | 21.9° |
| N54 | C44 | C47 | H471 | 126.0° | 140.4° |
| N54 | C44 | C47 | H472 | 124.5° | 96.4° |
| N54 | C44 | C52 | N53 | 150.2° | 179.5° |
| N54 | C44 | C52 | O58 | 28.1° | 0.6° |
| H441 | C44 | N54 | C45 | 127.8° | 120.6° |
| H441 | C44 | C47 | C46 | 124.4° | 97.2° |
| H441 | C44 | C47 | H471 | 110.4° | 21.3° |
| H441 | C44 | C47 | H472 | 0.9° | 144.5° |
| H441 | C44 | C52 | N53 | 26.2° | 59.5° |
| H441 | C44 | C52 | O58 | 152.1° | 120.4° |
| C46 | C45 | N54 | H451 | 125.3° | 118.9° |
| C46 | C45 | N54 | H452 | 125.3° | 118.9° |
| C46 | C45 | H451 | H452 | 120.0° | 122.3° |
| C45 | C46 | C47 | H461 | 125.3° | 118.1° |
| C45 | C46 | C47 | H462 | 125.3° | 118.1° |
| C45 | C46 | H461 | H462 | 118.9° | 124.0° |
| C45 | C46 | C47 | H471 | 121.0° | 153.8° |
| C45 | C46 | C47 | H472 | 129.5° | 82.8° |
| N54 | C45 | H451 | H452 | 120.0° | 122.2° |
| N54 | C45 | C46 | C47 | 7.3° | 37.0° |
| N54 | C45 | C46 | H461 | 118.0° | 81.0° |
| N54 | C45 | C46 | H462 | 132.6° | 155.0° |
| H451 | C45 | C46 | C47 | 118.0° | 155.9° |
| H451 | C45 | C46 | H461 | 116.7° | 37.9° |
| H451 | C45 | C46 | H462 | 7.3° | 86.1° |
| H452 | C45 | C46 | C47 | 132.6° | 81.9° |
| H452 | C45 | C46 | H461 | 7.3° | 160.1° |
| H452 | C45 | C46 | H462 | 102.1° | 36.2° |
| C47 | C46 | H461 | H462 | 118.9° | 123.8° |
| C46 | C47 | H471 | H472 | 117.6° | 123.3° |
| H461 | C46 | C47 | H471 | 113.7° | 35.8° |
| H461 | C46 | C47 | H472 | 4.3° | 159.1° |
| H462 | C46 | C47 | H471 | 4.2° | 88.1° |
| H462 | C46 | C47 | H472 | 105.2° | 35.3° |
| C52 | N53 | C59 | H531 | 180.0° | 179.9° |
| C52 | N53 | C59 | C61 | 119.2° | 90.1° |
| C52 | N53 | C59 | C71 | 111.4° | 150.0° |
| C52 | N53 | C59 | H591 | 2.1° | 29.9° |
| O58 | C52 | N53 | C59 | 3.7° | 0.1° |
| O58 | C52 | N53 | H531 | 176.3° | 180.0° |
| N53 | C59 | C61 | C71 | 135.5° | 120.0° |
| N53 | C59 | C61 | H591 | 112.3° | 119.9° |
| N53 | C59 | C71 | H591 | 109.4° | 120.0° |
| N53 | C59 | C61 | C62 | 45.9° | 57.3° |
| N53 | C59 | C61 | C66 | 76.9° | 177.3° |
| N53 | C59 | C61 | H611 | 164.1° | 62.7° |
| N53 | C59 | C71 | C73 | 58.6° | 127.1° |
| N53 | C59 | C71 | O74 | 141.5° | 52.9° |
| H531 | N53 | C59 | C61 | 60.8° | 90.0° |
| H531 | N53 | C59 | C71 | 68.6° | 30.0° |
| H531 | N53 | C59 | H591 | 177.9° | 150.0° |
| C61 | C59 | C71 | H591 | 121.2° | 120.0° |
| C59 | C61 | C62 | C66 | 122.7° | 120.0° |
| C59 | C61 | C62 | H611 | 118.2° | 120.0° |
| C59 | C61 | C66 | H611 | 118.3° | 119.9° |
| C59 | C61 | C62 | H621 | 180.0° | 180.0° |
| C59 | C61 | C62 | H622 | 54.7° | 60.0° |
| C59 | C61 | C62 | H623 | 54.7° | 60.0° |
| C59 | C61 | C66 | H661 | 180.0° | 57.6° |
| C59 | C61 | C66 | H662 | 54.7° | 62.4° |
| C59 | C61 | C66 | H663 | 54.7° | 177.6° |
| C61 | C59 | C71 | C73 | 172.1° | 113.0° |
| C61 | C59 | C71 | O74 | 12.2° | 67.1° |
| C71 | C59 | C61 | C62 | 89.6° | 62.7° |
| C71 | C59 | C61 | C66 | 147.6° | 57.3° |
| C71 | C59 | C61 | H611 | 28.6° | 177.2° |
| C59 | C71 | C73 | O74 | 159.7° | 179.9° |
| C59 | C71 | C73 | F75 | 145.8° | 61.1° |
| C59 | C71 | C73 | F76 | 20.9° | 178.9° |
| C59 | C71 | C73 | C77 | 97.6° | 58.9° |
| H591 | C59 | C61 | C62 | 158.3° | 177.3° |
| H591 | C59 | C61 | C66 | 35.4° | 62.7° |
| H591 | C59 | C61 | H611 | 83.6° | 57.2° |
| H591 | C59 | C71 | C73 | 50.8° | 7.0° |
| H591 | C59 | C71 | O74 | 109.1° | 172.9° |
| C62 | C61 | C66 | H611 | 118.3° | 120.0° |
| C61 | C62 | H621 | H622 | 125.3° | 120.1° |
| C61 | C62 | H621 | H623 | 125.2° | 120.0° |
| C61 | C62 | H622 | H623 | 117.3° | 120.0° |
| C62 | C61 | C66 | H661 | 56.6° | 62.4° |
| C62 | C61 | C66 | H662 | 178.2° | 177.6° |
| C62 | C61 | C66 | H663 | 68.7° | 57.6° |
| C66 | C61 | C62 | H621 | 57.3° | 60.0° |
| C66 | C61 | C62 | H622 | 68.0° | 180.0° |
| C66 | C61 | C62 | H623 | 177.4° | 60.0° |
| C61 | C66 | H661 | H662 | 125.3° | 120.0° |
| C61 | C66 | H661 | H663 | 125.3° | 120.0° |
| C61 | C66 | H662 | H663 | 117.8° | 120.0° |
| H611 | C61 | C62 | H621 | 61.8° | 60.0° |
| H611 | C61 | C62 | H622 | 173.0° | 60.0° |
| H611 | C61 | C62 | H623 | 63.5° | 180.0° |
| H611 | C61 | C66 | H661 | 61.7° | 177.5° |
| H611 | C61 | C66 | H662 | 63.6° | 57.5° |
| H611 | C61 | C66 | H663 | 173.0° | 62.5° |
| H621 | C62 | H622 | H623 | 117.5° | 119.9° |
| H661 | C66 | H662 | H663 | 117.9° | 120.0° |
| C71 | C73 | F75 | F76 | 125.6° | 120.0° |
| C71 | C73 | F75 | C77 | 121.6° | 120.0° |
| C71 | C73 | F76 | C77 | 120.4° | 120.0° |
| C71 | C73 | C77 | F78 | 45.6° | 180.0° |
| C71 | C73 | C77 | F79 | 72.8° | 60.1° |
| C71 | C73 | C77 | F80 | 167.7° | 60.0° |
| O74 | C71 | C73 | F75 | 54.5° | 119.0° |
| O74 | C71 | C73 | F76 | 179.4° | 1.0° |
| O74 | C71 | C73 | C77 | 62.1° | 121.0° |
| F75 | C73 | F76 | C77 | 108.2° | 120.0° |
| F75 | C73 | C77 | F78 | 173.1° | 60.1° |
| F75 | C73 | C77 | F79 | 54.7° | 180.0° |
| F75 | C73 | C77 | F80 | 64.8° | 60.0° |
| F76 | C73 | C77 | F78 | 74.0° | 59.9° |
| F76 | C73 | C77 | F79 | 167.7° | 60.0° |
| F76 | C73 | C77 | F80 | 48.1° | 180.0° |
| C73 | C77 | F78 | F79 | 115.5° | 120.0° |
| C73 | C77 | F78 | F80 | 121.9° | 120.0° |
| C73 | C77 | F79 | F80 | 120.7° | 120.0° |
| F78 | C77 | F79 | F80 | 123.8° | 120.0° |
