S7E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | N20 | sing | 1.36Å | 1.33Å | Aromatic |
| C46 | C45 | doub | 1.36Å | 1.39Å | Aromatic |
| C47 | N20 | sing | 1.47Å | 1.45Å | |
| N22 | C45 | sing | 1.41Å | 1.45Å | |
| N20 | C44 | sing | 1.38Å | 1.32Å | Aromatic |
| C45 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C44 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C43 | sing | 1.47Å | 1.51Å | |
| O8 | C43 | doub | 1.22Å | 1.18Å | |
| C43 | N19 | sing | 1.35Å | 1.45Å | |
| N19 | C39 | sing | 1.41Å | 1.43Å | |
| C40 | C39 | doub | 1.36Å | 1.39Å | Aromatic |
| C40 | N17 | sing | 1.36Å | 1.32Å | Aromatic |
| C39 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| N17 | C41 | sing | 1.46Å | 1.45Å | |
| N17 | C42 | sing | 1.38Å | 1.32Å | Aromatic |
| C18 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C38 | sing | 1.47Å | 1.51Å | |
| C38 | O7 | doub | 1.22Å | 1.18Å | |
| C38 | N16 | sing | 1.35Å | 1.43Å | |
| N16 | C34 | sing | 1.40Å | 1.45Å | |
| C34 | C35 | doub | 1.36Å | 1.39Å | Aromatic |
| C34 | N33 | sing | 1.33Å | 1.31Å | Aromatic |
| C35 | N15 | sing | 1.36Å | 1.31Å | Aromatic |
| N33 | C37 | doub | 1.32Å | 1.32Å | Aromatic |
| N15 | C37 | sing | 1.37Å | 1.32Å | Aromatic |
| N15 | C36 | sing | 1.47Å | 1.46Å | |
| C37 | C32 | sing | 1.47Å | 1.51Å | |
| N14 | C32 | sing | 1.35Å | 1.45Å | |
| N14 | C27 | sing | 1.40Å | 1.44Å | |
| C32 | O6 | doub | 1.22Å | 1.19Å | |
| C27 | N28 | sing | 1.33Å | 1.32Å | Aromatic |
| C27 | C29 | doub | 1.36Å | 1.39Å | Aromatic |
| N28 | C31 | doub | 1.32Å | 1.32Å | Aromatic |
| C29 | N13 | sing | 1.36Å | 1.31Å | Aromatic |
| C31 | N13 | sing | 1.37Å | 1.32Å | Aromatic |
| C31 | C26 | sing | 1.47Å | 1.51Å | |
| N12 | C26 | sing | 1.35Å | 1.44Å | |
| N12 | C51 | sing | 1.47Å | 1.45Å | |
| N13 | C30 | sing | 1.47Å | 1.46Å | |
| C26 | O5 | doub | 1.22Å | 1.19Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C50 | C49 | sing | 1.53Å | 1.53Å | |
| C22 | C49 | sing | 1.51Å | 1.52Å | |
| C22 | O4 | doub | 1.21Å | 1.19Å | |
| C49 | N23 | sing | 1.47Å | 1.45Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C29 | H4 | sing | 1.08Å | 1.08Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C35 | H8 | sing | 1.08Å | 1.08Å | |
| C36 | H9 | sing | 1.09Å | 1.10Å | |
| C36 | H10 | sing | 1.09Å | 1.10Å | |
| C36 | H11 | sing | 1.09Å | 1.10Å | |
| C40 | H12 | sing | 1.08Å | 1.08Å | |
| C41 | H13 | sing | 1.09Å | 1.10Å | |
| C41 | H14 | sing | 1.09Å | 1.10Å | |
| C41 | H15 | sing | 1.09Å | 1.10Å | |
| C46 | H16 | sing | 1.08Å | 1.08Å | |
| C47 | H17 | sing | 1.09Å | 1.10Å | |
| C47 | H18 | sing | 1.09Å | 1.10Å | |
| C47 | H19 | sing | 1.09Å | 1.10Å | |
| C49 | H20 | sing | 1.09Å | 1.10Å | |
| C50 | H21 | sing | 1.09Å | 1.10Å | |
| C50 | H22 | sing | 1.09Å | 1.10Å | |
| C51 | H23 | sing | 1.09Å | 1.10Å | |
| C51 | H24 | sing | 1.09Å | 1.10Å | |
| N12 | H25 | sing | 0.97Å | 1.00Å | |
| N14 | H26 | sing | 0.97Å | 1.00Å | |
| N16 | H27 | sing | 0.97Å | 1.00Å | |
| N19 | H28 | sing | 0.97Å | 1.00Å | |
| N22 | H29 | sing | 0.97Å | 1.00Å | |
| N22 | H30 | sing | 0.97Å | 1.00Å | |
| N23 | H31 | sing | 1.01Å | 1.00Å | |
| N23 | H32 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N20 | C46 | C45 | 108.7° | 108.8° |
| C46 | N20 | C47 | 124.9° | 125.7° |
| C46 | N20 | C44 | 109.2° | 108.7° |
| N20 | C46 | H16 | 125.6° | 125.6° |
| C46 | C45 | N22 | 128.3° | 126.1° |
| C46 | C45 | C21 | 106.9° | 107.8° |
| C45 | C46 | H16 | 125.6° | 125.6° |
| C47 | N20 | C44 | 125.9° | 125.7° |
| N20 | C47 | H17 | 109.5° | 109.5° |
| N20 | C47 | H18 | 109.5° | 109.5° |
| N20 | C47 | H19 | 109.5° | 109.4° |
| N22 | C45 | C21 | 124.8° | 126.1° |
| C45 | N22 | H29 | 109.5° | 120.0° |
| C45 | N22 | H30 | 109.5° | 120.0° |
| N20 | C44 | C21 | 109.7° | 107.7° |
| N20 | C44 | C43 | 126.9° | 126.2° |
| C45 | C21 | C44 | 105.5° | 107.1° |
| C45 | C21 | H2 | 127.3° | 126.5° |
| C21 | C44 | C43 | 123.3° | 126.2° |
| C44 | C21 | H2 | 127.3° | 126.4° |
| C44 | C43 | O8 | 120.5° | 120.0° |
| C44 | C43 | N19 | 116.8° | 120.0° |
| O8 | C43 | N19 | 122.6° | 120.0° |
| C43 | N19 | C39 | 120.5° | 120.0° |
| C43 | N19 | H28 | 119.8° | 120.0° |
| N19 | C39 | C40 | 126.7° | 126.1° |
| N19 | C39 | C18 | 124.9° | 126.1° |
| C39 | N19 | H28 | 119.7° | 120.0° |
| C39 | C40 | N17 | 106.9° | 108.7° |
| C40 | C39 | C18 | 108.4° | 107.8° |
| C39 | C40 | H12 | 126.5° | 125.6° |
| C40 | N17 | C41 | 123.8° | 125.6° |
| C40 | N17 | C42 | 110.6° | 108.7° |
| N17 | C40 | H12 | 126.5° | 125.7° |
| C39 | C18 | C42 | 104.5° | 107.1° |
| C39 | C18 | H1 | 127.8° | 126.4° |
| C41 | N17 | C42 | 125.6° | 125.7° |
| N17 | C41 | H13 | 109.5° | 109.4° |
| N17 | C41 | H14 | 109.5° | 109.4° |
| N17 | C41 | H15 | 109.5° | 109.5° |
| N17 | C42 | C18 | 109.6° | 107.7° |
| N17 | C42 | C38 | 125.5° | 126.2° |
| C18 | C42 | C38 | 124.8° | 126.1° |
| C42 | C18 | H1 | 127.8° | 126.5° |
| C42 | C38 | O7 | 120.1° | 120.0° |
| C42 | C38 | N16 | 117.9° | 120.0° |
| O7 | C38 | N16 | 122.0° | 120.0° |
| C38 | N16 | C34 | 119.7° | 120.0° |
| C38 | N16 | H27 | 120.2° | 120.0° |
| N16 | C34 | C35 | 126.7° | 125.9° |
| N16 | C34 | N33 | 124.7° | 125.9° |
| C34 | N16 | H27 | 120.2° | 120.0° |
| C35 | C34 | N33 | 108.5° | 108.2° |
| C34 | C35 | N15 | 106.6° | 107.0° |
| C34 | C35 | H8 | 126.7° | 126.5° |
| C34 | N33 | C37 | 106.0° | 109.2° |
| C35 | N15 | C37 | 107.1° | 107.1° |
| C35 | N15 | C36 | 124.6° | 126.5° |
| N15 | C35 | H8 | 126.7° | 126.5° |
| N33 | C37 | N15 | 111.8° | 108.4° |
| N33 | C37 | C32 | 123.8° | 125.8° |
| C37 | N15 | C36 | 128.3° | 126.4° |
| N15 | C37 | C32 | 124.4° | 125.7° |
| N15 | C36 | H9 | 109.5° | 109.5° |
| N15 | C36 | H10 | 109.5° | 109.5° |
| N15 | C36 | H11 | 109.5° | 109.4° |
| C37 | C32 | N14 | 118.6° | 119.9° |
| C37 | C32 | O6 | 118.2° | 120.0° |
| C32 | N14 | C27 | 117.3° | 120.0° |
| N14 | C32 | O6 | 123.0° | 120.0° |
| C32 | N14 | H26 | 121.4° | 120.1° |
| N14 | C27 | N28 | 124.5° | 125.9° |
| N14 | C27 | C29 | 126.5° | 125.9° |
| C27 | N14 | H26 | 121.4° | 120.0° |
| N28 | C27 | C29 | 109.0° | 108.2° |
| C27 | N28 | C31 | 105.5° | 109.3° |
| C27 | C29 | N13 | 106.0° | 107.0° |
| C27 | C29 | H4 | 127.0° | 126.5° |
| N28 | C31 | N13 | 111.7° | 108.4° |
| N28 | C31 | C26 | 123.5° | 125.8° |
| C29 | N13 | C31 | 107.8° | 107.1° |
| C29 | N13 | C30 | 125.0° | 126.4° |
| N13 | C29 | H4 | 127.0° | 126.5° |
| N13 | C31 | C26 | 124.8° | 125.8° |
| C31 | N13 | C30 | 127.2° | 126.5° |
| C31 | C26 | N12 | 118.0° | 120.0° |
| C31 | C26 | O5 | 120.3° | 120.0° |
| C26 | N12 | C51 | 117.2° | 120.0° |
| N12 | C26 | O5 | 121.6° | 120.0° |
| C26 | N12 | H25 | 121.4° | 120.0° |
| N12 | C51 | C50 | 108.0° | 109.5° |
| N12 | C51 | H23 | 109.8° | 109.5° |
| N12 | C51 | H24 | 109.8° | 109.5° |
| C51 | N12 | H25 | 121.4° | 120.0° |
| N13 | C30 | H5 | 109.5° | 109.5° |
| N13 | C30 | H6 | 109.5° | 109.4° |
| N13 | C30 | H7 | 109.5° | 109.5° |
| C51 | C50 | C49 | 115.2° | 109.5° |
| C51 | C50 | H21 | 108.0° | 109.5° |
| C51 | C50 | H22 | 108.0° | 109.5° |
| C50 | C51 | H23 | 109.8° | 109.4° |
| C50 | C51 | H24 | 109.8° | 109.4° |
| C50 | C49 | C22 | 113.6° | 109.5° |
| C50 | C49 | N23 | 112.2° | 109.4° |
| C50 | C49 | H20 | 106.9° | 109.5° |
| C49 | C50 | H21 | 108.0° | 109.5° |
| C49 | C50 | H22 | 108.0° | 109.4° |
| C49 | C22 | O4 | 120.6° | 120.0° |
| C22 | C49 | N23 | 109.1° | 109.5° |
| C49 | C22 | H3 | 119.7° | 120.0° |
| C22 | C49 | H20 | 106.9° | 109.5° |
| O4 | C22 | H3 | 119.7° | 119.9° |
| N23 | C49 | H20 | 107.7° | 109.5° |
| C49 | N23 | H31 | 109.5° | 111.0° |
| C49 | N23 | H32 | 109.5° | 111.0° |
| H5 | C30 | H6 | 109.5° | 109.5° |
| H5 | C30 | H7 | 109.5° | 109.5° |
| H6 | C30 | H7 | 109.5° | 109.5° |
| H9 | C36 | H10 | 109.4° | 109.5° |
| H9 | C36 | H11 | 109.5° | 109.5° |
| H10 | C36 | H11 | 109.5° | 109.5° |
| H13 | C41 | H14 | 109.5° | 109.5° |
| H13 | C41 | H15 | 109.4° | 109.5° |
| H14 | C41 | H15 | 109.5° | 109.5° |
| H17 | C47 | H18 | 109.4° | 109.5° |
| H17 | C47 | H19 | 109.5° | 109.5° |
| H18 | C47 | H19 | 109.5° | 109.4° |
| H21 | C50 | H22 | 109.4° | 109.5° |
| H23 | C51 | H24 | 109.5° | 109.5° |
| H29 | N22 | H30 | 109.5° | 120.0° |
| H31 | N23 | H32 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N20 | C46 | C45 | H16 | 180.0° | 180.0° |
| C46 | N20 | C47 | C44 | 178.9° | 179.9° |
| N20 | C46 | C45 | N22 | 179.9° | 179.9° |
| N20 | C46 | C45 | C21 | 0.3° | 0.2° |
| C46 | N20 | C44 | C21 | 0.6° | 0.1° |
| C46 | N20 | C44 | C43 | 179.3° | 179.8° |
| C46 | N20 | C47 | H17 | 180.0° | 95.1° |
| C46 | N20 | C47 | H18 | 60.0° | 144.9° |
| C46 | N20 | C47 | H19 | 60.0° | 25.0° |
| C45 | C46 | N20 | C47 | 179.6° | 180.0° |
| C46 | C45 | N22 | C21 | 179.7° | 179.9° |
| C45 | C46 | N20 | C44 | 0.6° | 0.0° |
| C46 | C45 | C21 | C44 | 0.1° | 0.2° |
| C46 | C45 | C21 | H2 | 179.9° | 180.0° |
| C46 | C45 | N22 | H29 | 180.0° | 180.0° |
| C46 | C45 | N22 | H30 | 60.0° | 0.1° |
| C47 | N20 | C44 | C21 | 179.7° | 179.8° |
| C47 | N20 | C44 | C43 | 1.6° | 0.2° |
| C47 | N20 | C46 | H16 | 0.4° | 0.0° |
| N20 | C47 | H17 | H18 | 120.0° | 120.0° |
| N20 | C47 | H17 | H19 | 120.0° | 120.0° |
| N20 | C47 | H18 | H19 | 120.0° | 119.9° |
| N22 | C45 | C21 | C44 | 179.7° | 179.8° |
| N22 | C45 | C21 | H2 | 0.3° | 0.1° |
| N22 | C45 | C46 | H16 | 0.1° | 0.1° |
| C45 | N22 | H29 | H30 | 120.0° | 179.9° |
| N20 | C44 | C21 | C45 | 0.4° | 0.2° |
| N20 | C44 | C21 | C43 | 178.8° | 179.9° |
| N20 | C44 | C43 | O8 | 12.2° | 5.2° |
| N20 | C44 | C43 | N19 | 168.4° | 174.9° |
| N20 | C44 | C21 | H2 | 179.6° | 179.9° |
| C44 | N20 | C46 | H16 | 179.4° | 180.0° |
| C44 | N20 | C47 | H17 | 1.1° | 84.9° |
| C44 | N20 | C47 | H18 | 118.9° | 35.2° |
| C44 | N20 | C47 | H19 | 121.1° | 155.1° |
| C45 | C21 | C44 | H2 | 180.0° | 179.7° |
| C45 | C21 | C44 | C43 | 179.2° | 179.7° |
| C21 | C45 | C46 | H16 | 179.7° | 179.8° |
| C21 | C45 | N22 | H29 | 0.3° | 0.1° |
| C21 | C45 | N22 | H30 | 120.3° | 180.0° |
| C21 | C44 | C43 | O8 | 166.3° | 174.9° |
| C21 | C44 | C43 | N19 | 13.1° | 5.0° |
| C44 | C43 | O8 | N19 | 179.3° | 179.9° |
| C44 | C43 | N19 | C39 | 178.3° | 174.8° |
| C43 | C44 | C21 | H2 | 0.8° | 0.0° |
| C44 | C43 | N19 | H28 | 1.7° | 5.1° |
| O8 | C43 | N19 | C39 | 1.1° | 5.2° |
| O8 | C43 | N19 | H28 | 178.9° | 174.8° |
| C43 | N19 | C39 | H28 | 180.0° | 180.0° |
| C43 | N19 | C39 | C40 | 15.2° | 180.0° |
| C43 | N19 | C39 | C18 | 166.7° | 0.0° |
| N19 | C39 | C40 | C18 | 178.4° | 180.0° |
| N19 | C39 | C40 | N17 | 178.7° | 180.0° |
| N19 | C39 | C18 | C42 | 179.5° | 180.0° |
| N19 | C39 | C18 | H1 | 0.5° | 0.2° |
| N19 | C39 | C40 | H12 | 1.3° | 0.0° |
| C39 | C40 | N17 | H12 | 180.0° | 180.0° |
| C39 | C40 | N17 | C41 | 179.4° | 180.0° |
| C39 | C40 | N17 | C42 | 0.7° | 0.0° |
| C40 | C39 | C18 | C42 | 1.1° | 0.0° |
| C40 | C39 | C18 | H1 | 178.9° | 179.8° |
| C40 | C39 | N19 | H28 | 164.8° | 0.0° |
| N17 | C40 | C39 | C18 | 0.3° | 0.0° |
| C40 | N17 | C41 | C42 | 178.5° | 180.0° |
| C40 | N17 | C42 | C18 | 1.4° | 0.1° |
| C40 | N17 | C42 | C38 | 178.2° | 179.8° |
| C40 | N17 | C41 | H13 | 180.0° | 95.2° |
| C40 | N17 | C41 | H14 | 60.0° | 144.9° |
| C40 | N17 | C41 | H15 | 60.0° | 24.9° |
| C39 | C18 | C42 | N17 | 1.5° | 0.1° |
| C39 | C18 | C42 | H1 | 180.0° | 179.8° |
| C39 | C18 | C42 | C38 | 178.4° | 179.8° |
| C18 | C39 | C40 | H12 | 179.7° | 180.0° |
| C18 | C39 | N19 | H28 | 13.3° | 180.0° |
| C41 | N17 | C42 | C18 | 179.9° | 180.0° |
| C41 | N17 | C42 | C38 | 3.1° | 0.2° |
| C41 | N17 | C40 | H12 | 0.6° | 0.0° |
| N17 | C41 | H13 | H14 | 120.0° | 119.9° |
| N17 | C41 | H13 | H15 | 120.0° | 120.1° |
| N17 | C41 | H14 | H15 | 120.0° | 120.0° |
| N17 | C42 | C18 | C38 | 176.9° | 179.8° |
| N17 | C42 | C38 | O7 | 11.5° | 4.8° |
| N17 | C42 | C38 | N16 | 169.4° | 175.2° |
| N17 | C42 | C18 | H1 | 178.5° | 179.8° |
| C42 | N17 | C40 | H12 | 179.3° | 180.0° |
| C42 | N17 | C41 | H13 | 1.5° | 84.9° |
| C42 | N17 | C41 | H14 | 118.5° | 35.1° |
| C42 | N17 | C41 | H15 | 121.4° | 155.1° |
| C18 | C42 | C38 | O7 | 164.9° | 174.9° |
| C18 | C42 | C38 | N16 | 14.3° | 5.1° |
| C42 | C38 | O7 | N16 | 179.2° | 180.0° |
| C42 | C38 | N16 | C34 | 177.6° | 174.8° |
| C38 | C42 | C18 | H1 | 1.6° | 0.0° |
| C42 | C38 | N16 | H27 | 2.4° | 5.2° |
| O7 | C38 | N16 | C34 | 1.6° | 5.2° |
| O7 | C38 | N16 | H27 | 178.4° | 174.7° |
| C38 | N16 | C34 | H27 | 180.0° | 180.0° |
| C38 | N16 | C34 | C35 | 8.0° | 0.0° |
| C38 | N16 | C34 | N33 | 174.4° | 179.7° |
| N16 | C34 | C35 | N33 | 177.9° | 179.7° |
| N16 | C34 | C35 | N15 | 178.3° | 179.7° |
| N16 | C34 | N33 | C37 | 178.7° | 179.7° |
| N16 | C34 | C35 | H8 | 1.7° | 0.2° |
| C34 | C35 | N15 | H8 | 180.0° | 179.9° |
| C35 | C34 | N33 | C37 | 0.7° | 0.0° |
| C34 | C35 | N15 | C37 | 0.0° | 0.0° |
| C34 | C35 | N15 | C36 | 179.6° | 180.0° |
| C35 | C34 | N16 | H27 | 172.0° | 180.0° |
| N33 | C34 | C35 | N15 | 0.5° | 0.0° |
| C34 | N33 | C37 | N15 | 0.8° | 0.0° |
| C34 | N33 | C37 | C32 | 178.4° | 180.0° |
| N33 | C34 | C35 | H8 | 179.5° | 180.0° |
| N33 | C34 | N16 | H27 | 5.5° | 0.3° |
| C35 | N15 | C37 | N33 | 0.5° | 0.0° |
| C35 | N15 | C37 | C36 | 179.6° | 179.9° |
| C35 | N15 | C37 | C32 | 178.1° | 180.0° |
| C35 | N15 | C36 | H9 | 180.0° | 89.9° |
| C35 | N15 | C36 | H10 | 60.0° | 150.0° |
| C35 | N15 | C36 | H11 | 60.0° | 30.1° |
| N33 | C37 | N15 | C32 | 177.6° | 180.0° |
| N33 | C37 | N15 | C36 | 179.9° | 180.0° |
| N33 | C37 | C32 | N14 | 9.3° | 0.0° |
| N33 | C37 | C32 | O6 | 167.2° | 180.0° |
| N15 | C37 | C32 | N14 | 173.4° | 180.0° |
| N15 | C37 | C32 | O6 | 10.1° | 0.0° |
| C37 | N15 | C35 | H8 | 180.0° | 179.9° |
| C37 | N15 | C36 | H9 | 0.4° | 90.0° |
| C37 | N15 | C36 | H10 | 119.6° | 30.0° |
| C37 | N15 | C36 | H11 | 120.4° | 150.0° |
| C36 | N15 | C37 | C32 | 2.3° | 0.0° |
| C36 | N15 | C35 | H8 | 0.3° | 0.1° |
| N15 | C36 | H9 | H10 | 120.0° | 120.0° |
| N15 | C36 | H9 | H11 | 120.0° | 120.0° |
| N15 | C36 | H10 | H11 | 120.0° | 120.0° |
| C37 | C32 | N14 | O6 | 176.4° | 180.0° |
| C37 | C32 | N14 | C27 | 179.8° | 180.0° |
| C37 | C32 | N14 | H26 | 0.2° | 0.1° |
| C32 | N14 | C27 | H26 | 180.0° | 179.9° |
| C32 | N14 | C27 | N28 | 149.8° | 180.0° |
| C32 | N14 | C27 | C29 | 28.7° | 0.3° |
| C27 | N14 | C32 | O6 | 3.8° | 0.0° |
| N14 | C27 | N28 | C29 | 178.8° | 179.7° |
| N14 | C27 | N28 | C31 | 179.4° | 179.7° |
| N14 | C27 | C29 | N13 | 178.7° | 179.7° |
| N14 | C27 | C29 | H4 | 1.3° | 0.2° |
| O6 | C32 | N14 | H26 | 176.2° | 180.0° |
| N28 | C27 | C29 | N13 | 0.1° | 0.0° |
| C27 | N28 | C31 | N13 | 1.0° | 0.0° |
| C27 | N28 | C31 | C26 | 178.7° | 180.0° |
| N28 | C27 | C29 | H4 | 180.0° | 180.0° |
| N28 | C27 | N14 | H26 | 30.1° | 0.1° |
| C29 | C27 | N28 | C31 | 0.6° | 0.0° |
| C27 | C29 | N13 | H4 | 180.0° | 179.9° |
| C27 | C29 | N13 | C31 | 0.7° | 0.0° |
| C27 | C29 | N13 | C30 | 179.5° | 180.0° |
| C29 | C27 | N14 | H26 | 151.3° | 179.8° |
| N28 | C31 | N13 | C29 | 1.1° | 0.0° |
| N28 | C31 | N13 | C26 | 177.7° | 180.0° |
| N28 | C31 | C26 | N12 | 5.4° | 0.0° |
| N28 | C31 | N13 | C30 | 179.9° | 180.0° |
| N28 | C31 | C26 | O5 | 171.8° | 179.9° |
| C29 | N13 | C31 | C30 | 178.8° | 179.9° |
| C29 | N13 | C31 | C26 | 178.7° | 180.0° |
| C29 | N13 | C30 | H5 | 180.0° | 89.9° |
| C29 | N13 | C30 | H6 | 60.0° | 150.0° |
| C29 | N13 | C30 | H7 | 60.0° | 30.1° |
| N13 | C31 | C26 | N12 | 177.2° | 180.0° |
| N13 | C31 | C26 | O5 | 5.6° | 0.0° |
| C31 | N13 | C29 | H4 | 179.4° | 180.0° |
| C31 | N13 | C30 | H5 | 1.4° | 90.0° |
| C31 | N13 | C30 | H6 | 121.4° | 30.0° |
| C31 | N13 | C30 | H7 | 118.6° | 150.0° |
| C31 | C26 | N12 | O5 | 177.2° | 180.0° |
| C31 | C26 | N12 | C51 | 177.9° | 180.0° |
| C26 | C31 | N13 | C30 | 2.4° | 0.1° |
| C31 | C26 | N12 | H25 | 2.1° | 0.1° |
| C26 | N12 | C51 | H25 | 180.0° | 179.9° |
| C26 | N12 | C51 | C50 | 130.4° | 180.0° |
| C26 | N12 | C51 | H23 | 10.6° | 60.0° |
| C26 | N12 | C51 | H24 | 109.8° | 60.1° |
| C51 | N12 | C26 | O5 | 0.7° | 0.1° |
| N12 | C51 | C50 | H23 | 119.8° | 120.0° |
| N12 | C51 | C50 | H24 | 119.8° | 120.0° |
| N12 | C51 | C50 | C49 | 79.9° | 180.0° |
| N12 | C51 | C50 | H21 | 159.3° | 60.0° |
| N12 | C51 | C50 | H22 | 41.0° | 60.0° |
| N12 | C51 | H23 | H24 | 120.7° | 120.0° |
| C30 | N13 | C29 | H4 | 0.5° | 0.1° |
| N13 | C30 | H5 | H6 | 120.0° | 120.0° |
| N13 | C30 | H5 | H7 | 120.0° | 120.0° |
| N13 | C30 | H6 | H7 | 120.0° | 120.0° |
| O5 | C26 | N12 | H25 | 179.3° | 180.0° |
| C51 | C50 | C49 | H21 | 120.9° | 120.0° |
| C51 | C50 | C49 | H22 | 120.8° | 120.0° |
| C51 | C50 | C49 | C22 | 47.9° | 175.0° |
| C51 | C50 | C49 | N23 | 76.5° | 65.0° |
| C51 | C50 | C49 | H20 | 165.6° | 55.0° |
| C51 | C50 | H21 | H22 | 117.3° | 120.0° |
| C50 | C51 | H23 | H24 | 120.7° | 120.0° |
| C50 | C51 | N12 | H25 | 49.6° | 0.0° |
| C50 | C49 | C22 | N23 | 126.0° | 120.0° |
| C50 | C49 | C22 | H20 | 117.7° | 120.0° |
| C50 | C49 | C22 | O4 | 107.4° | 119.9° |
| C50 | C49 | N23 | H20 | 117.4° | 120.0° |
| C50 | C49 | C22 | H3 | 72.6° | 60.0° |
| C49 | C50 | H21 | H22 | 117.4° | 120.0° |
| C49 | C50 | C51 | H23 | 39.9° | 60.0° |
| C49 | C50 | C51 | H24 | 160.3° | 60.0° |
| C50 | C49 | N23 | H31 | 180.0° | 60.0° |
| C50 | C49 | N23 | H32 | 60.0° | 64.0° |
| C49 | C22 | O4 | H3 | 180.0° | 179.9° |
| C22 | C49 | N23 | H20 | 115.8° | 120.0° |
| C22 | C49 | C50 | H21 | 168.7° | 65.0° |
| C22 | C49 | C50 | H22 | 73.0° | 55.0° |
| C22 | C49 | N23 | H31 | 53.2° | 60.0° |
| C22 | C49 | N23 | H32 | 66.9° | 176.0° |
| O4 | C22 | C49 | N23 | 18.6° | 0.0° |
| O4 | C22 | C49 | H20 | 134.9° | 120.0° |
| N23 | C49 | C22 | H3 | 161.4° | 180.0° |
| N23 | C49 | C50 | H21 | 44.3° | 55.0° |
| N23 | C49 | C50 | H22 | 162.6° | 175.0° |
| C49 | N23 | H31 | H32 | 120.0° | 124.0° |
| H3 | C22 | C49 | H20 | 45.1° | 60.0° |
| H5 | C30 | H6 | H7 | 120.0° | 120.0° |
| H9 | C36 | H10 | H11 | 120.0° | 120.0° |
| H13 | C41 | H14 | H15 | 120.0° | 120.0° |
| H17 | C47 | H18 | H19 | 120.0° | 120.0° |
| H20 | C49 | C50 | H21 | 73.6° | 175.0° |
| H20 | C49 | C50 | H22 | 44.7° | 65.0° |
| H20 | C49 | N23 | H31 | 62.6° | 180.0° |
| H20 | C49 | N23 | H32 | 177.4° | 56.0° |
| H21 | C50 | C51 | H23 | 81.0° | 180.0° |
| H21 | C50 | C51 | H24 | 39.5° | 60.0° |
| H22 | C50 | C51 | H23 | 160.7° | 60.0° |
| H22 | C50 | C51 | H24 | 78.8° | 180.0° |
| H23 | C51 | N12 | H25 | 169.3° | 119.9° |
| H24 | C51 | N12 | H25 | 70.2° | 120.0° |
