OEW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C39 | C37 | sing | 1.53Å | 1.52Å | |
| C31 | C27 | sing | 1.53Å | 1.53Å | |
| C51 | N49 | doub | 1.29Å | 1.44Å | |
| C51 | C54 | sing | 1.51Å | 1.53Å | |
| C37 | N36 | sing | 1.46Å | 1.45Å | |
| N49 | C47 | sing | 1.34Å | 1.32Å | |
| C54 | C45 | sing | 1.54Å | 1.53Å | |
| O41 | C35 | doub | 1.21Å | 1.18Å | |
| C27 | O25 | sing | 1.45Å | 1.44Å | |
| C27 | C33 | sing | 1.53Å | 1.56Å | |
| C27 | C32 | sing | 1.53Å | 1.50Å | |
| O25 | C24 | sing | 1.35Å | 1.47Å | |
| N36 | C35 | sing | 1.35Å | 1.33Å | |
| C35 | C57 | sing | 1.51Å | 1.47Å | |
| C47 | C45 | sing | 1.51Å | 1.49Å | |
| C47 | O48 | doub | 1.21Å | 1.19Å | |
| C45 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C40 | sing | 1.53Å | 1.56Å | |
| O37 | C36 | doub | 1.21Å | 1.24Å | |
| O26 | C24 | doub | 1.21Å | 1.22Å | |
| C24 | N23 | sing | 1.35Å | 1.34Å | |
| C40 | C57 | sing | 1.53Å | 1.54Å | |
| C40 | N38 | sing | 1.47Å | 1.46Å | |
| C57 | O40 | sing | 1.43Å | 1.45Å | |
| N23 | C19 | sing | 1.40Å | 1.37Å | |
| C36 | N38 | sing | 1.35Å | 1.34Å | |
| C36 | C20 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | doub | 1.37Å | 1.41Å | |
| C18 | C17 | sing | 1.40Å | 1.39Å | |
| C19 | C21 | sing | 1.41Å | 1.51Å | |
| C17 | C16 | doub | 1.35Å | 1.39Å | |
| C21 | O22 | doub | 1.22Å | 1.27Å | |
| C21 | N15 | sing | 1.35Å | 1.42Å | |
| C16 | N15 | sing | 1.36Å | 1.36Å | |
| N15 | C20 | sing | 1.47Å | 1.48Å | |
| C20 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| N36 | H1 | sing | 0.97Å | 1.00Å | |
| C37 | H2 | sing | 1.09Å | 1.10Å | |
| C39 | H3 | sing | 1.09Å | 1.10Å | |
| C39 | H4 | sing | 1.09Å | 1.10Å | |
| C38 | H5 | sing | 1.09Å | 1.10Å | |
| C38 | H6 | sing | 1.09Å | 1.10Å | |
| C57 | H7 | sing | 1.09Å | 1.10Å | |
| O40 | H8 | sing | 0.97Å | 0.95Å | |
| C40 | H9 | sing | 1.09Å | 1.10Å | |
| C42 | H10 | sing | 1.09Å | 1.10Å | |
| C42 | H11 | sing | 1.09Å | 1.10Å | |
| C45 | H12 | sing | 1.09Å | 1.10Å | |
| C54 | H13 | sing | 1.09Å | 1.10Å | |
| C54 | H14 | sing | 1.09Å | 1.10Å | |
| C51 | H15 | sing | 1.08Å | 1.08Å | |
| N38 | H16 | sing | 0.97Å | 1.00Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| C17 | H32 | sing | 1.08Å | 1.08Å | |
| C16 | H33 | sing | 1.08Å | 1.08Å | |
| N23 | H34 | sing | 0.97Å | 1.00Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C37 | 60.1° | 60.0° |
| C38 | C39 | C37 | 60.2° | 60.0° |
| C38 | C39 | H3 | 119.9° | 117.5° |
| C38 | C39 | H4 | 120.0° | 117.5° |
| C39 | C38 | H5 | 120.0° | 117.5° |
| C39 | C38 | H6 | 120.0° | 117.5° |
| C38 | C37 | C39 | 59.7° | 60.0° |
| C38 | C37 | N36 | 113.9° | 117.5° |
| C38 | C37 | H2 | 117.2° | 117.5° |
| C37 | C38 | H5 | 120.0° | 117.5° |
| C37 | C38 | H6 | 120.0° | 117.5° |
| C39 | C37 | N36 | 116.6° | 117.5° |
| C39 | C37 | H2 | 117.2° | 117.5° |
| C37 | C39 | H3 | 119.9° | 117.5° |
| C37 | C39 | H4 | 120.0° | 117.4° |
| C31 | C27 | O25 | 120.5° | 109.5° |
| C31 | C27 | C33 | 91.2° | 109.4° |
| C31 | C27 | C32 | 121.1° | 109.5° |
| C27 | C31 | H41 | 109.5° | 109.5° |
| C27 | C31 | H42 | 109.5° | 109.4° |
| C27 | C31 | H43 | 109.5° | 109.4° |
| N49 | C51 | C54 | 103.1° | 109.9° |
| C51 | N49 | C47 | 113.4° | 115.6° |
| N49 | C51 | H15 | 128.4° | 125.0° |
| C51 | C54 | C45 | 108.3° | 103.2° |
| C51 | C54 | H13 | 109.8° | 110.7° |
| C51 | C54 | H14 | 109.8° | 110.8° |
| C54 | C51 | H15 | 128.4° | 125.0° |
| C37 | N36 | C35 | 123.2° | 120.0° |
| C37 | N36 | H1 | 118.4° | 120.0° |
| N36 | C37 | H2 | 118.7° | 115.6° |
| N49 | C47 | C45 | 112.6° | 108.5° |
| N49 | C47 | O48 | 124.1° | 125.7° |
| C54 | C45 | C47 | 101.7° | 102.9° |
| C54 | C45 | C42 | 112.2° | 110.7° |
| C54 | C45 | H12 | 108.7° | 110.7° |
| C45 | C54 | H13 | 109.7° | 110.7° |
| C45 | C54 | H14 | 109.8° | 110.7° |
| O41 | C35 | N36 | 125.7° | 120.0° |
| O41 | C35 | C57 | 116.4° | 120.0° |
| O25 | C27 | C33 | 95.1° | 109.4° |
| O25 | C27 | C32 | 117.9° | 109.5° |
| C27 | O25 | C24 | 134.2° | 117.0° |
| C33 | C27 | C32 | 91.0° | 109.5° |
| C27 | C33 | H35 | 109.5° | 109.4° |
| C27 | C33 | H36 | 109.5° | 109.5° |
| C27 | C33 | H37 | 109.5° | 109.5° |
| C27 | C32 | H38 | 109.5° | 109.5° |
| C27 | C32 | H39 | 109.5° | 109.5° |
| C27 | C32 | H40 | 109.5° | 109.5° |
| O25 | C24 | O26 | 116.1° | 120.0° |
| O25 | C24 | N23 | 119.8° | 120.0° |
| N36 | C35 | C57 | 117.8° | 120.0° |
| C35 | N36 | H1 | 118.4° | 120.0° |
| C35 | C57 | C40 | 111.8° | 109.5° |
| C35 | C57 | O40 | 106.0° | 109.5° |
| C35 | C57 | H7 | 108.4° | 109.5° |
| C45 | C47 | O48 | 122.4° | 125.8° |
| C47 | C45 | C42 | 115.8° | 110.8° |
| C47 | C45 | H12 | 109.2° | 110.8° |
| C45 | C42 | C40 | 112.9° | 109.4° |
| C45 | C42 | H10 | 108.6° | 109.4° |
| C45 | C42 | H11 | 108.6° | 109.5° |
| C42 | C45 | H12 | 108.9° | 110.7° |
| C42 | C40 | C57 | 116.8° | 109.5° |
| C42 | C40 | N38 | 115.0° | 109.5° |
| C42 | C40 | H9 | 106.4° | 109.4° |
| C40 | C42 | H10 | 108.6° | 109.5° |
| C40 | C42 | H11 | 108.6° | 109.5° |
| O37 | C36 | N38 | 123.6° | 120.0° |
| O37 | C36 | C20 | 119.0° | 120.0° |
| O26 | C24 | N23 | 123.2° | 120.0° |
| C24 | N23 | C19 | 121.5° | 120.0° |
| C24 | N23 | H34 | 119.3° | 120.0° |
| C57 | C40 | N38 | 103.9° | 109.5° |
| C40 | C57 | O40 | 114.1° | 109.5° |
| C40 | C57 | H7 | 107.6° | 109.4° |
| C57 | C40 | H9 | 106.6° | 109.5° |
| C40 | N38 | C36 | 119.5° | 120.0° |
| N38 | C40 | H9 | 107.5° | 109.5° |
| C40 | N38 | H16 | 120.3° | 119.9° |
| O40 | C57 | H7 | 108.8° | 109.5° |
| C57 | O40 | H8 | 109.5° | 114.1° |
| N23 | C19 | C18 | 122.7° | 120.4° |
| N23 | C19 | C21 | 120.8° | 120.4° |
| C19 | N23 | H34 | 119.2° | 120.0° |
| N38 | C36 | C20 | 117.3° | 120.0° |
| C36 | N38 | H16 | 120.2° | 120.1° |
| C36 | C20 | N15 | 109.8° | 109.5° |
| C36 | C20 | C22 | 104.1° | 109.5° |
| C36 | C20 | H17 | 109.7° | 109.5° |
| C19 | C18 | C17 | 121.0° | 119.3° |
| C18 | C19 | C21 | 116.3° | 119.1° |
| C19 | C18 | H31 | 119.5° | 120.4° |
| C18 | C17 | C16 | 121.3° | 120.0° |
| C17 | C18 | H31 | 119.5° | 120.3° |
| C18 | C17 | H32 | 119.4° | 120.0° |
| C19 | C21 | O22 | 126.1° | 120.0° |
| C19 | C21 | N15 | 119.0° | 119.9° |
| C17 | C16 | N15 | 121.7° | 120.8° |
| C16 | C17 | H32 | 119.3° | 120.0° |
| C17 | C16 | H33 | 119.2° | 119.6° |
| O22 | C21 | N15 | 114.8° | 120.1° |
| C21 | N15 | C16 | 120.5° | 120.8° |
| C21 | N15 | C20 | 114.1° | 119.6° |
| C16 | N15 | C20 | 125.3° | 119.6° |
| N15 | C16 | H33 | 119.1° | 119.6° |
| N15 | C20 | C22 | 113.5° | 109.4° |
| N15 | C20 | H17 | 109.9° | 109.5° |
| C20 | C22 | C1 | 106.1° | 109.5° |
| C22 | C20 | H17 | 109.6° | 109.5° |
| C20 | C22 | H18 | 110.3° | 109.4° |
| C20 | C22 | H19 | 110.4° | 109.4° |
| C22 | C1 | C6 | 107.4° | 109.4° |
| C22 | C1 | C2 | 114.8° | 109.5° |
| C1 | C22 | H18 | 110.3° | 109.5° |
| C1 | C22 | H19 | 110.3° | 109.5° |
| C22 | C1 | H20 | 109.5° | 109.5° |
| C6 | C1 | C2 | 106.8° | 109.4° |
| C1 | C6 | C5 | 109.3° | 109.5° |
| C6 | C1 | H20 | 109.3° | 109.5° |
| C1 | C6 | H21 | 109.5° | 109.5° |
| C1 | C6 | H22 | 109.5° | 109.5° |
| C1 | C2 | C3 | 106.7° | 109.5° |
| C2 | C1 | H20 | 109.0° | 109.5° |
| C1 | C2 | H29 | 110.1° | 109.4° |
| C1 | C2 | H30 | 110.1° | 109.5° |
| C6 | C5 | C4 | 107.6° | 109.5° |
| C5 | C6 | H21 | 109.5° | 109.5° |
| C5 | C6 | H22 | 109.5° | 109.4° |
| C6 | C5 | H23 | 109.9° | 109.5° |
| C6 | C5 | H24 | 109.9° | 109.5° |
| C2 | C3 | C4 | 109.9° | 109.5° |
| C2 | C3 | H27 | 109.4° | 109.5° |
| C2 | C3 | H28 | 109.4° | 109.4° |
| C3 | C2 | H29 | 110.2° | 109.5° |
| C3 | C2 | H30 | 110.2° | 109.5° |
| C5 | C4 | C3 | 110.0° | 109.5° |
| C4 | C5 | H23 | 109.9° | 109.5° |
| C4 | C5 | H24 | 109.9° | 109.4° |
| C5 | C4 | H25 | 109.3° | 109.5° |
| C5 | C4 | H26 | 109.4° | 109.5° |
| C3 | C4 | H25 | 109.4° | 109.4° |
| C3 | C4 | H26 | 109.3° | 109.5° |
| C4 | C3 | H27 | 109.4° | 109.5° |
| C4 | C3 | H28 | 109.4° | 109.5° |
| H3 | C39 | H4 | 109.5° | 115.6° |
| H5 | C38 | H6 | 109.5° | 115.6° |
| H10 | C42 | H11 | 109.4° | 109.5° |
| H13 | C54 | H14 | 109.4° | 110.6° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H21 | C6 | H22 | 109.5° | 109.5° |
| H23 | C5 | H24 | 109.5° | 109.5° |
| H25 | C4 | H26 | 109.5° | 109.4° |
| H27 | C3 | H28 | 109.5° | 109.4° |
| H29 | C2 | H30 | 109.4° | 109.4° |
| H35 | C33 | H36 | 109.4° | 109.4° |
| H35 | C33 | H37 | 109.5° | 109.5° |
| H36 | C33 | H37 | 109.5° | 109.5° |
| H38 | C32 | H39 | 109.5° | 109.5° |
| H38 | C32 | H40 | 109.4° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H41 | C31 | H42 | 109.4° | 109.5° |
| H41 | C31 | H43 | 109.5° | 109.5° |
| H42 | C31 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C37 | H5 | 109.5° | 107.5° |
| C39 | C38 | C37 | H6 | 109.5° | 107.5° |
| C38 | C39 | C37 | H3 | 109.5° | 107.4° |
| C38 | C39 | C37 | H4 | 109.5° | 107.5° |
| C39 | C38 | C37 | N36 | 108.0° | 107.5° |
| C39 | C38 | C37 | H2 | 107.1° | 107.5° |
| C38 | C39 | H3 | H4 | 144.6° | 145.8° |
| C39 | C38 | H5 | H6 | 144.7° | 145.7° |
| C38 | C37 | N36 | H2 | 144.3° | 145.7° |
| C38 | C37 | N36 | C35 | 66.3° | 136.2° |
| C38 | C37 | N36 | H1 | 113.7° | 43.7° |
| C37 | C38 | H5 | H6 | 144.7° | 145.7° |
| C39 | C37 | N36 | H2 | 149.0° | 145.7° |
| C39 | C37 | N36 | C35 | 133.0° | 155.1° |
| C39 | C37 | N36 | H1 | 47.0° | 24.9° |
| C37 | C39 | H3 | H4 | 144.6° | 145.6° |
| C31 | C27 | O25 | C33 | 94.4° | 119.9° |
| C31 | C27 | O25 | C32 | 171.8° | 120.0° |
| C31 | C27 | C33 | C32 | 121.1° | 120.0° |
| C31 | C27 | O25 | C24 | 123.5° | 60.0° |
| C31 | C27 | C33 | H35 | 180.0° | 180.0° |
| C31 | C27 | C33 | H36 | 60.0° | 60.1° |
| C31 | C27 | C33 | H37 | 60.0° | 60.0° |
| C31 | C27 | C32 | H38 | 180.0° | 60.0° |
| C31 | C27 | C32 | H39 | 60.0° | 60.0° |
| C31 | C27 | C32 | H40 | 60.0° | 180.0° |
| C27 | C31 | H41 | H42 | 120.0° | 120.0° |
| C27 | C31 | H41 | H43 | 120.0° | 119.9° |
| C27 | C31 | H42 | H43 | 120.0° | 119.9° |
| N49 | C51 | C54 | H15 | 180.0° | 180.0° |
| N49 | C51 | C54 | C45 | 6.0° | 0.0° |
| C51 | N49 | C47 | C45 | 9.6° | 0.2° |
| C51 | N49 | C47 | O48 | 159.2° | 180.0° |
| N49 | C51 | C54 | H13 | 125.9° | 118.4° |
| N49 | C51 | C54 | H14 | 113.8° | 118.5° |
| C54 | C51 | N49 | C47 | 9.6° | 0.1° |
| C51 | C54 | C45 | H13 | 119.8° | 118.4° |
| C51 | C54 | C45 | H14 | 119.9° | 118.6° |
| C51 | C54 | C45 | C47 | 1.1° | 0.1° |
| C51 | C54 | C45 | C42 | 125.5° | 118.3° |
| C51 | C54 | C45 | H12 | 114.0° | 118.5° |
| C51 | C54 | H13 | H14 | 120.5° | 123.2° |
| C37 | N36 | C35 | O41 | 4.9° | 0.0° |
| C37 | N36 | C35 | H1 | 180.0° | 179.9° |
| C37 | N36 | C35 | C57 | 172.3° | 179.7° |
| N36 | C37 | C39 | H3 | 6.1° | 145.0° |
| N36 | C37 | C39 | H4 | 147.1° | 0.0° |
| N36 | C37 | C38 | H5 | 142.5° | 0.0° |
| N36 | C37 | C38 | H6 | 1.5° | 145.0° |
| N49 | C47 | C45 | C54 | 4.9° | 0.2° |
| N49 | C47 | C45 | O48 | 169.1° | 179.8° |
| N49 | C47 | C45 | C42 | 117.0° | 118.2° |
| N49 | C47 | C45 | H12 | 119.7° | 118.5° |
| C47 | N49 | C51 | H15 | 170.4° | 179.9° |
| C54 | C45 | C47 | C42 | 121.9° | 118.4° |
| C54 | C45 | C47 | H12 | 114.8° | 118.4° |
| C54 | C45 | C47 | O48 | 164.2° | 180.0° |
| C54 | C45 | C42 | H12 | 120.4° | 123.2° |
| C54 | C45 | C42 | C40 | 75.3° | 174.3° |
| C54 | C45 | C42 | H10 | 45.2° | 65.7° |
| C54 | C45 | C42 | H11 | 164.2° | 54.3° |
| C45 | C54 | H13 | H14 | 120.5° | 123.0° |
| C45 | C54 | C51 | H15 | 174.0° | 179.9° |
| O41 | C35 | N36 | C57 | 177.2° | 179.7° |
| O41 | C35 | C57 | C40 | 53.0° | 115.0° |
| O41 | C35 | C57 | O40 | 178.0° | 5.0° |
| O41 | C35 | N36 | H1 | 175.1° | 180.0° |
| O41 | C35 | C57 | H7 | 65.4° | 125.0° |
| O25 | C27 | C33 | C32 | 118.2° | 120.1° |
| C27 | O25 | C24 | O26 | 71.3° | 0.0° |
| C27 | O25 | C24 | N23 | 119.1° | 180.0° |
| O25 | C27 | C33 | H35 | 59.2° | 60.1° |
| O25 | C27 | C33 | H36 | 179.2° | 180.0° |
| O25 | C27 | C33 | H37 | 60.8° | 60.0° |
| O25 | C27 | C32 | H38 | 8.2° | 60.0° |
| O25 | C27 | C32 | H39 | 111.8° | 180.0° |
| O25 | C27 | C32 | H40 | 128.3° | 60.0° |
| O25 | C27 | C31 | H41 | 180.0° | 59.9° |
| O25 | C27 | C31 | H42 | 60.0° | 180.0° |
| O25 | C27 | C31 | H43 | 60.0° | 60.1° |
| C33 | C27 | O25 | C24 | 29.1° | 60.0° |
| C27 | C33 | H35 | H36 | 120.0° | 119.9° |
| C27 | C33 | H35 | H37 | 120.0° | 120.0° |
| C27 | C33 | H36 | H37 | 120.0° | 120.0° |
| C33 | C27 | C32 | H38 | 88.0° | 180.0° |
| C33 | C27 | C32 | H39 | 152.0° | 60.0° |
| C33 | C27 | C32 | H40 | 32.0° | 60.0° |
| C33 | C27 | C31 | H41 | 83.4° | 60.0° |
| C33 | C27 | C31 | H42 | 156.6° | 60.1° |
| C33 | C27 | C31 | H43 | 36.6° | 180.0° |
| C32 | C27 | O25 | C24 | 64.7° | 180.0° |
| C32 | C27 | C33 | H35 | 58.9° | 60.0° |
| C32 | C27 | C33 | H36 | 61.1° | 59.9° |
| C32 | C27 | C33 | H37 | 178.9° | 180.0° |
| C27 | C32 | H38 | H39 | 120.0° | 120.0° |
| C27 | C32 | H38 | H40 | 120.0° | 120.0° |
| C27 | C32 | H39 | H40 | 120.0° | 120.0° |
| C32 | C27 | C31 | H41 | 8.5° | 180.0° |
| C32 | C27 | C31 | H42 | 111.5° | 60.0° |
| C32 | C27 | C31 | H43 | 128.5° | 60.0° |
| O25 | C24 | O26 | N23 | 169.2° | 180.0° |
| O25 | C24 | N23 | C19 | 144.2° | 175.5° |
| O25 | C24 | N23 | H34 | 35.8° | 4.5° |
| N36 | C35 | C57 | C40 | 124.5° | 64.7° |
| N36 | C35 | C57 | O40 | 0.5° | 175.3° |
| C35 | N36 | C37 | H2 | 78.0° | 9.5° |
| N36 | C35 | C57 | H7 | 117.1° | 55.3° |
| C35 | C57 | C40 | C42 | 75.9° | 180.0° |
| C35 | C57 | C40 | O40 | 120.3° | 120.0° |
| C35 | C57 | C40 | H7 | 118.9° | 120.0° |
| C35 | C57 | C40 | N38 | 156.3° | 60.0° |
| C35 | C57 | O40 | H7 | 116.4° | 120.0° |
| C57 | C35 | N36 | H1 | 7.7° | 0.3° |
| C35 | C57 | O40 | H8 | 180.0° | 60.0° |
| C35 | C57 | C40 | H9 | 42.9° | 60.0° |
| C47 | C45 | C42 | H12 | 123.5° | 123.3° |
| C47 | C45 | C42 | C40 | 168.6° | 72.2° |
| C47 | C45 | C42 | H10 | 70.9° | 47.7° |
| C47 | C45 | C42 | H11 | 48.1° | 167.8° |
| C47 | C45 | C54 | H13 | 121.0° | 118.5° |
| C47 | C45 | C54 | H14 | 118.7° | 118.4° |
| O48 | C47 | C45 | C42 | 73.9° | 61.6° |
| O48 | C47 | C45 | H12 | 49.4° | 61.7° |
| C45 | C42 | C40 | H10 | 120.5° | 119.9° |
| C45 | C42 | C40 | H11 | 120.5° | 120.0° |
| C45 | C42 | C40 | C57 | 165.6° | 64.1° |
| C45 | C42 | C40 | N38 | 43.4° | 175.9° |
| C45 | C42 | C40 | H9 | 75.5° | 55.9° |
| C45 | C42 | H10 | H11 | 118.5° | 120.0° |
| C42 | C45 | C54 | H13 | 114.7° | 0.1° |
| C42 | C45 | C54 | H14 | 5.6° | 123.1° |
| C42 | C40 | C57 | N38 | 127.8° | 120.0° |
| C42 | C40 | C57 | H9 | 118.8° | 120.0° |
| C42 | C40 | N38 | H9 | 118.4° | 120.0° |
| C42 | C40 | C57 | O40 | 163.8° | 60.0° |
| C42 | C40 | N38 | C36 | 106.6° | 81.3° |
| C42 | C40 | C57 | H7 | 43.1° | 60.0° |
| C40 | C42 | H10 | H11 | 118.4° | 120.1° |
| C40 | C42 | C45 | H12 | 45.1° | 51.1° |
| C42 | C40 | N38 | H16 | 73.4° | 98.6° |
| O37 | C36 | N38 | C40 | 2.8° | 5.0° |
| O37 | C36 | N38 | C20 | 177.9° | 179.9° |
| O37 | C36 | C20 | N15 | 31.1° | 0.1° |
| O37 | C36 | C20 | C22 | 90.7° | 120.0° |
| O37 | C36 | N38 | H16 | 177.3° | 174.9° |
| O37 | C36 | C20 | H17 | 152.0° | 120.0° |
| O26 | C24 | N23 | C19 | 24.6° | 4.5° |
| O26 | C24 | N23 | H34 | 155.4° | 175.5° |
| C24 | N23 | C19 | H34 | 180.0° | 180.0° |
| C24 | N23 | C19 | C18 | 19.2° | 121.5° |
| C24 | N23 | C19 | C21 | 156.4° | 58.5° |
| C57 | C40 | N38 | H9 | 112.8° | 120.0° |
| C40 | C57 | O40 | H7 | 120.1° | 119.9° |
| C57 | C40 | N38 | C36 | 124.5° | 158.7° |
| C40 | C57 | O40 | H8 | 56.5° | 60.0° |
| C57 | C40 | C42 | H10 | 73.9° | 176.0° |
| C57 | C40 | C42 | H11 | 45.1° | 55.9° |
| C57 | C40 | N38 | H16 | 55.5° | 21.3° |
| N38 | C40 | C57 | O40 | 36.0° | 60.0° |
| C40 | N38 | C36 | H16 | 180.0° | 179.9° |
| C40 | N38 | C36 | C20 | 175.1° | 175.0° |
| N38 | C40 | C57 | H7 | 84.8° | 180.0° |
| N38 | C40 | C42 | H10 | 164.0° | 56.0° |
| N38 | C40 | C42 | H11 | 77.1° | 64.1° |
| O40 | C57 | C40 | H9 | 77.4° | 180.0° |
| N23 | C19 | C18 | C21 | 175.8° | 180.0° |
| N23 | C19 | C18 | C17 | 177.5° | 180.0° |
| N23 | C19 | C21 | O22 | 3.0° | 0.0° |
| N23 | C19 | C21 | N15 | 176.9° | 180.0° |
| N23 | C19 | C18 | H31 | 2.5° | 0.0° |
| N38 | C36 | C20 | N15 | 150.9° | 180.0° |
| N38 | C36 | C20 | C22 | 87.2° | 60.0° |
| C36 | N38 | C40 | H9 | 11.7° | 38.7° |
| N38 | C36 | C20 | H17 | 30.0° | 60.0° |
| C36 | C20 | N15 | C21 | 68.4° | 114.5° |
| C36 | C20 | N15 | C16 | 109.8° | 65.2° |
| C36 | C20 | N15 | C22 | 116.1° | 120.0° |
| C36 | C20 | N15 | H17 | 120.8° | 120.0° |
| C36 | C20 | C22 | H17 | 117.3° | 120.0° |
| C36 | C20 | C22 | C1 | 147.2° | 176.7° |
| C20 | C36 | N38 | H16 | 4.9° | 5.0° |
| C36 | C20 | C22 | H18 | 93.3° | 63.3° |
| C36 | C20 | C22 | H19 | 27.8° | 56.7° |
| C19 | C18 | C17 | H31 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.9° | 0.2° |
| C18 | C19 | C21 | O22 | 178.8° | 180.0° |
| C18 | C19 | C21 | N15 | 1.0° | 0.0° |
| C19 | C18 | C17 | H32 | 178.1° | 179.9° |
| C18 | C19 | N23 | H34 | 160.8° | 58.5° |
| C17 | C18 | C19 | C21 | 1.7° | 0.0° |
| C18 | C17 | C16 | H32 | 180.0° | 179.7° |
| C18 | C17 | C16 | N15 | 1.2° | 0.5° |
| C18 | C17 | C16 | H33 | 178.8° | 180.0° |
| C19 | C21 | O22 | N15 | 179.9° | 180.0° |
| C19 | C21 | N15 | C16 | 0.4° | 0.3° |
| C19 | C21 | N15 | C20 | 178.6° | 180.0° |
| C21 | C19 | C18 | H31 | 178.3° | 180.0° |
| C21 | C19 | N23 | H34 | 23.6° | 121.4° |
| C17 | C16 | N15 | C21 | 0.5° | 0.5° |
| C17 | C16 | N15 | H33 | 180.0° | 179.5° |
| C17 | C16 | N15 | C20 | 178.5° | 179.8° |
| C16 | C17 | C18 | H31 | 178.1° | 179.8° |
| O22 | C21 | N15 | C16 | 179.5° | 179.8° |
| O22 | C21 | N15 | C20 | 1.2° | 0.1° |
| C21 | N15 | C16 | C20 | 178.0° | 179.7° |
| C21 | N15 | C20 | C22 | 175.6° | 125.6° |
| C21 | N15 | C20 | H17 | 52.4° | 5.6° |
| C21 | N15 | C16 | H33 | 179.6° | 179.9° |
| C16 | N15 | C20 | C22 | 6.3° | 54.7° |
| C16 | N15 | C20 | H17 | 129.4° | 174.7° |
| N15 | C16 | C17 | H32 | 178.8° | 179.8° |
| N15 | C20 | C22 | H17 | 123.3° | 120.0° |
| N15 | C20 | C22 | C1 | 93.4° | 63.3° |
| N15 | C20 | C22 | H18 | 26.1° | 56.6° |
| N15 | C20 | C22 | H19 | 147.1° | 176.6° |
| C20 | N15 | C16 | H33 | 1.5° | 0.2° |
| C20 | C22 | C1 | H18 | 119.5° | 120.0° |
| C20 | C22 | C1 | H19 | 119.5° | 120.0° |
| C20 | C22 | C1 | C6 | 174.1° | 66.0° |
| C20 | C22 | C1 | C2 | 55.5° | 174.1° |
| C20 | C22 | H18 | H19 | 121.6° | 119.9° |
| C20 | C22 | C1 | H20 | 67.4° | 54.0° |
| C22 | C1 | C6 | C2 | 123.6° | 120.0° |
| C22 | C1 | C6 | H20 | 118.7° | 120.0° |
| C22 | C1 | C2 | H20 | 123.2° | 120.1° |
| C22 | C1 | C6 | C5 | 172.3° | 180.0° |
| C22 | C1 | C2 | C3 | 173.6° | 179.9° |
| C1 | C22 | C20 | H17 | 29.9° | 56.7° |
| C1 | C22 | H18 | H19 | 121.5° | 120.1° |
| C22 | C1 | C6 | H21 | 67.8° | 60.0° |
| C22 | C1 | C6 | H22 | 52.3° | 60.1° |
| C22 | C1 | C2 | H29 | 54.0° | 60.0° |
| C22 | C1 | C2 | H30 | 66.8° | 59.9° |
| C6 | C1 | C2 | H20 | 117.9° | 120.0° |
| C1 | C6 | C5 | H21 | 120.0° | 120.0° |
| C1 | C6 | C5 | H22 | 120.0° | 120.0° |
| C6 | C1 | C2 | C3 | 67.5° | 60.0° |
| C1 | C6 | C5 | C4 | 0.3° | 60.0° |
| C6 | C1 | C22 | H18 | 54.6° | 174.1° |
| C6 | C1 | C22 | H19 | 66.5° | 54.0° |
| C1 | C6 | H21 | H22 | 120.1° | 120.0° |
| C1 | C6 | C5 | H23 | 120.0° | 180.0° |
| C1 | C6 | C5 | H24 | 119.5° | 60.0° |
| C6 | C1 | C2 | H29 | 172.9° | 180.0° |
| C6 | C1 | C2 | H30 | 52.1° | 60.0° |
| C2 | C1 | C6 | C5 | 64.2° | 60.0° |
| C1 | C2 | C3 | H29 | 119.6° | 120.0° |
| C1 | C2 | C3 | H30 | 119.6° | 120.0° |
| C1 | C2 | C3 | C4 | 6.8° | 60.0° |
| C2 | C1 | C22 | H18 | 64.0° | 54.1° |
| C2 | C1 | C22 | H19 | 175.0° | 65.9° |
| C2 | C1 | C6 | H21 | 55.8° | 60.0° |
| C2 | C1 | C6 | H22 | 175.8° | 180.0° |
| C1 | C2 | C3 | H27 | 113.2° | 180.0° |
| C1 | C2 | C3 | H28 | 126.9° | 60.0° |
| C1 | C2 | H29 | H30 | 121.2° | 120.0° |
| C6 | C5 | C4 | H23 | 119.7° | 120.1° |
| C6 | C5 | C4 | H24 | 119.7° | 120.0° |
| C6 | C5 | C4 | C3 | 60.7° | 59.9° |
| C5 | C6 | C1 | H20 | 53.6° | 60.0° |
| C5 | C6 | H21 | H22 | 120.1° | 120.0° |
| C6 | C5 | H23 | H24 | 120.8° | 120.0° |
| C6 | C5 | C4 | H25 | 179.3° | 60.0° |
| C6 | C5 | C4 | H26 | 59.4° | 180.0° |
| C2 | C3 | C4 | C5 | 57.2° | 59.9° |
| C2 | C3 | C4 | H27 | 120.1° | 120.1° |
| C2 | C3 | C4 | H28 | 120.1° | 120.0° |
| C3 | C2 | C1 | H20 | 50.4° | 60.0° |
| C2 | C3 | C4 | H25 | 177.2° | 60.0° |
| C2 | C3 | C4 | H26 | 62.9° | 180.0° |
| C2 | C3 | H27 | H28 | 119.8° | 120.0° |
| C3 | C2 | H29 | H30 | 121.3° | 120.0° |
| C5 | C4 | C3 | H25 | 120.1° | 120.0° |
| C5 | C4 | C3 | H26 | 120.1° | 120.1° |
| C4 | C5 | C6 | H21 | 119.7° | 60.0° |
| C4 | C5 | C6 | H22 | 120.2° | 180.0° |
| C4 | C5 | H23 | H24 | 120.9° | 120.0° |
| C5 | C4 | H25 | H26 | 119.8° | 120.0° |
| C5 | C4 | C3 | H27 | 177.2° | 180.0° |
| C5 | C4 | C3 | H28 | 62.9° | 60.0° |
| C3 | C4 | C5 | H23 | 59.1° | 180.0° |
| C3 | C4 | C5 | H24 | 179.7° | 60.0° |
| C3 | C4 | H25 | H26 | 119.8° | 120.0° |
| C4 | C3 | H27 | H28 | 119.8° | 120.0° |
| C4 | C3 | C2 | H29 | 126.4° | 180.0° |
| C4 | C3 | C2 | H30 | 112.7° | 60.1° |
| H1 | N36 | C37 | H2 | 102.1° | 170.6° |
| H2 | C37 | C39 | H3 | 143.4° | 0.0° |
| H2 | C37 | C39 | H4 | 2.4° | 145.0° |
| H2 | C37 | C38 | H5 | 2.4° | 145.0° |
| H2 | C37 | C38 | H6 | 143.4° | 0.0° |
| H3 | C39 | C38 | H5 | 141.0° | 145.1° |
| H3 | C39 | C38 | H6 | 0.0° | 0.1° |
| H4 | C39 | C38 | H5 | 0.1° | 0.0° |
| H4 | C39 | C38 | H6 | 140.9° | 145.1° |
| H7 | C57 | O40 | H8 | 63.6° | 180.0° |
| H7 | C57 | C40 | H9 | 161.8° | 60.0° |
| H9 | C40 | C42 | H10 | 45.0° | 64.0° |
| H9 | C40 | C42 | H11 | 164.0° | 176.0° |
| H9 | C40 | N38 | H16 | 168.3° | 141.4° |
| H10 | C42 | C45 | H12 | 165.6° | 171.1° |
| H11 | C42 | C45 | H12 | 75.4° | 68.9° |
| H12 | C45 | C54 | H13 | 5.8° | 123.1° |
| H12 | C45 | C54 | H14 | 126.1° | 0.1° |
| H13 | C54 | C51 | H15 | 54.1° | 61.5° |
| H14 | C54 | C51 | H15 | 66.2° | 61.6° |
| H17 | C20 | C22 | H18 | 149.4° | 176.6° |
| H17 | C20 | C22 | H19 | 89.5° | 63.4° |
| H18 | C22 | C1 | H20 | 173.1° | 65.9° |
| H19 | C22 | C1 | H20 | 52.1° | 174.0° |
| H20 | C1 | C6 | H21 | 173.6° | 180.0° |
| H20 | C1 | C6 | H22 | 66.4° | 60.0° |
| H20 | C1 | C2 | H29 | 69.2° | 60.0° |
| H20 | C1 | C2 | H30 | 170.0° | 180.0° |
| H21 | C6 | C5 | H23 | 0.0° | 60.0° |
| H21 | C6 | C5 | H24 | 120.6° | 180.0° |
| H22 | C6 | C5 | H23 | 120.0° | 60.0° |
| H22 | C6 | C5 | H24 | 0.5° | 60.0° |
| H23 | C5 | C4 | H25 | 61.0° | 60.1° |
| H23 | C5 | C4 | H26 | 179.1° | 59.9° |
| H24 | C5 | C4 | H25 | 59.6° | 180.0° |
| H24 | C5 | C4 | H26 | 60.3° | 60.1° |
| H25 | C4 | C3 | H27 | 62.7° | 60.0° |
| H25 | C4 | C3 | H28 | 57.2° | 180.0° |
| H26 | C4 | C3 | H27 | 57.2° | 59.9° |
| H26 | C4 | C3 | H28 | 177.0° | 60.0° |
| H27 | C3 | C2 | H29 | 6.3° | 60.0° |
| H27 | C3 | C2 | H30 | 127.2° | 60.0° |
| H28 | C3 | C2 | H29 | 113.6° | 60.0° |
| H28 | C3 | C2 | H30 | 7.3° | 180.0° |
| H31 | C18 | C17 | H32 | 1.9° | 0.0° |
| H32 | C17 | C16 | H33 | 1.2° | 0.2° |
| H35 | C33 | H36 | H37 | 120.0° | 120.1° |
| H38 | C32 | H39 | H40 | 119.9° | 120.0° |
| H41 | C31 | H42 | H43 | 120.0° | 120.1° |
