BJS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C94 | C93 | doub | 1.38Å | 1.39Å | Aromatic |
| C94 | C95 | sing | 1.38Å | 1.39Å | Aromatic |
| C93 | C91 | sing | 1.38Å | 1.39Å | Aromatic |
| C95 | C96 | doub | 1.38Å | 1.38Å | Aromatic |
| C91 | C89 | sing | 1.51Å | 1.51Å | |
| C91 | C97 | doub | 1.38Å | 1.39Å | Aromatic |
| C96 | C97 | sing | 1.38Å | 1.39Å | Aromatic |
| N87 | C89 | sing | 1.47Å | 1.47Å | |
| N87 | C85 | sing | 1.47Å | 1.47Å | |
| C85 | C75 | sing | 1.51Å | 1.51Å | |
| C75 | C76 | doub | 1.38Å | 1.40Å | Aromatic |
| C75 | C74 | sing | 1.38Å | 1.39Å | Aromatic |
| C76 | C70 | sing | 1.40Å | 1.39Å | Aromatic |
| CL3 | C74 | sing | 1.74Å | 1.75Å | |
| CL4 | C55 | sing | 1.74Å | 1.75Å | |
| C74 | C73 | doub | 1.38Å | 1.39Å | Aromatic |
| C70 | C68 | sing | 1.43Å | 1.44Å | |
| C70 | C72 | doub | 1.40Å | 1.39Å | Aromatic |
| C68 | C66 | trip | 1.17Å | 1.20Å | |
| C73 | C72 | sing | 1.38Å | 1.38Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C54 | sing | 1.40Å | 1.40Å | Aromatic |
| C66 | C54 | sing | 1.43Å | 1.43Å | |
| C56 | C57 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | C53 | doub | 1.40Å | 1.39Å | Aromatic |
| C57 | C51 | doub | 1.39Å | 1.39Å | Aromatic |
| C53 | C51 | sing | 1.39Å | 1.40Å | Aromatic |
| C51 | C15 | sing | 1.48Å | 1.48Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| C39 | O40 | sing | 1.43Å | 1.43Å | |
| C15 | N14 | doub | 1.32Å | 1.33Å | Aromatic |
| C15 | C1 | sing | 1.40Å | 1.42Å | Aromatic |
| C38 | N36 | sing | 1.47Å | 1.47Å | |
| N14 | N13 | sing | 1.41Å | 1.38Å | Aromatic |
| N28 | C24 | sing | 1.35Å | 1.28Å | |
| O40 | C41 | sing | 1.43Å | 1.45Å | |
| C6 | C1 | sing | 1.51Å | 1.50Å | |
| C6 | N5 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | doub | 1.36Å | 1.35Å | Aromatic |
| N36 | C34 | sing | 1.47Å | 1.48Å | |
| N36 | C42 | sing | 1.47Å | 1.49Å | |
| C34 | C32 | sing | 1.53Å | 1.52Å | |
| N13 | C2 | sing | 1.35Å | 1.36Å | Aromatic |
| N13 | C30 | sing | 1.47Å | 1.48Å | |
| C24 | O26 | doub | 1.21Å | 1.24Å | |
| C24 | C20 | sing | 1.49Å | 1.56Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C42 | C49 | sing | 1.53Å | 1.56Å | |
| C32 | C30 | sing | 1.53Å | 1.54Å | |
| N5 | C20 | sing | 1.35Å | 1.36Å | |
| N5 | C4 | sing | 1.47Å | 1.48Å | |
| C20 | O22 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C34 | H1 | sing | 1.09Å | 1.10Å | |
| C34 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C38 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.09Å | 1.10Å | |
| C39 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| C41 | H17 | sing | 1.09Å | 1.10Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C49 | H20 | sing | 1.09Å | 1.10Å | |
| C49 | H21 | sing | 1.09Å | 1.10Å | |
| C49 | H22 | sing | 1.09Å | 1.10Å | |
| C53 | H23 | sing | 1.08Å | 1.08Å | |
| C56 | H24 | sing | 1.08Å | 1.08Å | |
| C57 | H25 | sing | 1.08Å | 1.08Å | |
| C72 | H26 | sing | 1.08Å | 1.08Å | |
| C73 | H27 | sing | 1.08Å | 1.08Å | |
| C76 | H28 | sing | 1.08Å | 1.08Å | |
| C85 | H29 | sing | 1.09Å | 1.10Å | |
| C85 | H30 | sing | 1.09Å | 1.10Å | |
| C89 | H31 | sing | 1.09Å | 1.10Å | |
| C89 | H32 | sing | 1.09Å | 1.10Å | |
| C93 | H33 | sing | 1.08Å | 1.08Å | |
| C94 | H34 | sing | 1.08Å | 1.08Å | |
| C95 | H35 | sing | 1.08Å | 1.08Å | |
| C96 | H36 | sing | 1.08Å | 1.08Å | |
| C97 | H37 | sing | 1.08Å | 1.08Å | |
| N28 | H38 | sing | 0.97Å | 1.00Å | |
| N28 | H39 | sing | 0.97Å | 1.00Å | |
| N87 | H41 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C93 | C94 | C95 | 120.1° | 120.0° |
| C94 | C93 | C91 | 120.7° | 120.0° |
| C94 | C93 | H33 | 119.6° | 120.0° |
| C93 | C94 | H34 | 120.0° | 120.0° |
| C94 | C95 | C96 | 119.7° | 120.1° |
| C95 | C94 | H34 | 119.9° | 120.0° |
| C94 | C95 | H35 | 120.2° | 120.0° |
| C93 | C91 | C89 | 120.7° | 120.0° |
| C93 | C91 | C97 | 118.6° | 120.0° |
| C91 | C93 | H33 | 119.6° | 120.0° |
| C95 | C96 | C97 | 120.1° | 119.9° |
| C96 | C95 | H35 | 120.1° | 120.0° |
| C95 | C96 | H36 | 119.9° | 120.1° |
| C89 | C91 | C97 | 120.6° | 120.0° |
| C91 | C89 | N87 | 112.2° | 109.4° |
| C91 | C89 | H31 | 108.8° | 109.5° |
| C91 | C89 | H32 | 108.8° | 109.5° |
| C91 | C97 | C96 | 120.8° | 120.0° |
| C91 | C97 | H37 | 119.6° | 120.1° |
| C97 | C96 | H36 | 119.9° | 120.0° |
| C96 | C97 | H37 | 119.6° | 119.9° |
| C89 | N87 | C85 | 112.2° | 111.0° |
| N87 | C89 | H31 | 108.7° | 109.5° |
| N87 | C89 | H32 | 108.8° | 109.5° |
| C89 | N87 | H41 | 108.8° | 111.1° |
| N87 | C85 | C75 | 112.4° | 109.5° |
| N87 | C85 | H29 | 108.7° | 109.5° |
| N87 | C85 | H30 | 108.7° | 109.5° |
| C85 | N87 | H41 | 108.8° | 111.0° |
| C85 | C75 | C76 | 121.4° | 119.9° |
| C85 | C75 | C74 | 121.1° | 119.9° |
| C75 | C85 | H29 | 108.7° | 109.5° |
| C75 | C85 | H30 | 108.8° | 109.4° |
| C76 | C75 | C74 | 117.5° | 120.2° |
| C75 | C76 | C70 | 121.0° | 119.8° |
| C75 | C76 | H28 | 119.5° | 120.1° |
| C75 | C74 | CL3 | 119.4° | 119.8° |
| C75 | C74 | C73 | 122.1° | 120.3° |
| C76 | C70 | C68 | 119.7° | 120.1° |
| C76 | C70 | C72 | 119.9° | 119.7° |
| C70 | C76 | H28 | 119.5° | 120.1° |
| CL3 | C74 | C73 | 118.5° | 119.9° |
| CL4 | C55 | C56 | 119.1° | 120.0° |
| CL4 | C55 | C54 | 119.8° | 120.0° |
| C74 | C73 | C72 | 119.6° | 120.2° |
| C74 | C73 | H27 | 120.2° | 119.9° |
| C68 | C70 | C72 | 120.4° | 120.1° |
| C70 | C68 | C66 | 174.6° | 180.0° |
| C70 | C72 | C73 | 119.9° | 119.8° |
| C70 | C72 | H26 | 120.0° | 120.1° |
| C68 | C66 | C54 | 172.4° | 180.0° |
| C73 | C72 | H26 | 120.1° | 120.1° |
| C72 | C73 | H27 | 120.2° | 119.9° |
| C56 | C55 | C54 | 121.1° | 120.1° |
| C55 | C56 | C57 | 119.8° | 120.3° |
| C55 | C56 | H24 | 120.1° | 119.9° |
| C55 | C54 | C66 | 122.6° | 120.1° |
| C55 | C54 | C53 | 118.5° | 119.8° |
| C66 | C54 | C53 | 119.0° | 120.1° |
| C56 | C57 | C51 | 120.3° | 120.2° |
| C57 | C56 | H24 | 120.1° | 119.8° |
| C56 | C57 | H25 | 119.9° | 119.9° |
| C54 | C53 | C51 | 121.1° | 119.7° |
| C54 | C53 | H23 | 119.5° | 120.2° |
| C57 | C51 | C53 | 119.2° | 120.0° |
| C57 | C51 | C15 | 122.3° | 120.0° |
| C51 | C57 | H25 | 119.8° | 119.9° |
| C53 | C51 | C15 | 118.5° | 120.0° |
| C51 | C53 | H23 | 119.4° | 120.1° |
| C51 | C15 | N14 | 119.5° | 126.2° |
| C51 | C15 | C1 | 129.2° | 126.1° |
| C38 | C39 | O40 | 111.3° | 109.2° |
| C39 | C38 | N36 | 109.3° | 109.3° |
| C39 | C38 | H13 | 109.5° | 109.5° |
| C39 | C38 | H14 | 109.6° | 109.5° |
| C38 | C39 | H15 | 109.0° | 109.5° |
| C38 | C39 | H16 | 109.0° | 109.5° |
| C39 | O40 | C41 | 110.8° | 113.7° |
| O40 | C39 | H15 | 109.0° | 109.5° |
| O40 | C39 | H16 | 109.0° | 109.5° |
| N14 | C15 | C1 | 111.2° | 107.7° |
| C15 | N14 | N13 | 104.2° | 108.4° |
| C15 | C1 | C6 | 132.4° | 128.1° |
| C15 | C1 | C2 | 105.2° | 108.1° |
| C38 | N36 | C34 | 111.9° | 111.0° |
| C38 | N36 | C42 | 111.5° | 110.8° |
| N36 | C38 | H13 | 109.5° | 109.5° |
| N36 | C38 | H14 | 109.5° | 109.5° |
| N14 | N13 | C2 | 111.9° | 108.0° |
| N14 | N13 | C30 | 119.1° | 126.1° |
| N28 | C24 | O26 | 120.1° | 119.9° |
| N28 | C24 | C20 | 119.2° | 120.0° |
| C24 | N28 | H38 | 120.0° | 120.0° |
| C24 | N28 | H39 | 120.0° | 120.0° |
| O40 | C41 | C42 | 124.3° | 109.3° |
| O40 | C41 | H17 | 105.7° | 109.5° |
| O40 | C41 | H18 | 105.7° | 109.5° |
| C1 | C6 | N5 | 109.4° | 107.2° |
| C6 | C1 | C2 | 122.4° | 123.8° |
| C1 | C6 | H7 | 109.5° | 109.9° |
| C1 | C6 | H8 | 109.5° | 109.9° |
| C6 | N5 | C20 | 127.7° | 120.8° |
| C6 | N5 | C4 | 111.6° | 118.4° |
| N5 | C6 | H7 | 109.5° | 109.9° |
| N5 | C6 | H8 | 109.5° | 109.9° |
| C1 | C2 | N13 | 107.5° | 107.9° |
| C1 | C2 | C3 | 124.7° | 124.4° |
| C34 | N36 | C42 | 119.6° | 111.0° |
| N36 | C34 | C32 | 117.6° | 109.4° |
| N36 | C34 | H1 | 107.4° | 109.5° |
| N36 | C34 | H2 | 107.4° | 109.4° |
| N36 | C42 | C41 | 115.0° | 109.3° |
| N36 | C42 | C49 | 112.3° | 109.5° |
| N36 | C42 | H19 | 106.4° | 109.5° |
| C34 | C32 | C30 | 113.9° | 109.4° |
| C32 | C34 | H1 | 107.4° | 109.5° |
| C32 | C34 | H2 | 107.4° | 109.5° |
| C34 | C32 | H5 | 108.4° | 109.5° |
| C34 | C32 | H6 | 108.4° | 109.5° |
| C2 | N13 | C30 | 129.1° | 126.0° |
| N13 | C2 | C3 | 127.8° | 127.7° |
| N13 | C30 | C32 | 113.2° | 109.5° |
| N13 | C30 | H3 | 108.5° | 109.5° |
| N13 | C30 | H4 | 108.6° | 109.5° |
| O26 | C24 | C20 | 120.7° | 120.1° |
| C24 | C20 | N5 | 123.3° | 120.0° |
| C24 | C20 | O22 | 115.3° | 120.1° |
| C41 | C42 | C49 | 110.9° | 109.5° |
| C42 | C41 | H17 | 105.6° | 109.5° |
| C42 | C41 | H18 | 105.6° | 109.5° |
| C41 | C42 | H19 | 105.9° | 109.5° |
| C2 | C3 | C4 | 107.7° | 108.8° |
| C2 | C3 | H11 | 109.9° | 109.6° |
| C2 | C3 | H12 | 109.9° | 109.6° |
| C49 | C42 | H19 | 105.6° | 109.5° |
| C42 | C49 | H20 | 109.5° | 109.5° |
| C42 | C49 | H21 | 109.5° | 109.4° |
| C42 | C49 | H22 | 109.5° | 109.4° |
| C32 | C30 | H3 | 108.5° | 109.5° |
| C32 | C30 | H4 | 108.5° | 109.5° |
| C30 | C32 | H5 | 108.4° | 109.4° |
| C30 | C32 | H6 | 108.3° | 109.5° |
| C20 | N5 | C4 | 120.7° | 120.8° |
| N5 | C20 | O22 | 121.5° | 119.9° |
| N5 | C4 | C3 | 110.0° | 109.2° |
| N5 | C4 | H9 | 109.3° | 109.5° |
| N5 | C4 | H10 | 109.3° | 109.6° |
| C3 | C4 | H9 | 109.3° | 109.5° |
| C3 | C4 | H10 | 109.4° | 109.5° |
| C4 | C3 | H11 | 109.9° | 109.4° |
| C4 | C3 | H12 | 109.9° | 109.7° |
| H1 | C34 | H2 | 109.5° | 109.5° |
| H3 | C30 | H4 | 109.5° | 109.5° |
| H5 | C32 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 110.0° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.7° |
| H13 | C38 | H14 | 109.5° | 109.5° |
| H15 | C39 | H16 | 109.4° | 109.6° |
| H17 | C41 | H18 | 109.5° | 109.5° |
| H20 | C49 | H21 | 109.4° | 109.5° |
| H20 | C49 | H22 | 109.4° | 109.5° |
| H21 | C49 | H22 | 109.5° | 109.5° |
| H29 | C85 | H30 | 109.4° | 109.5° |
| H31 | C89 | H32 | 109.5° | 109.5° |
| H38 | N28 | H39 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C93 | C94 | C95 | H34 | 180.0° | 180.0° |
| C94 | C93 | C91 | H33 | 180.0° | 180.0° |
| C93 | C94 | C95 | C96 | 0.1° | 0.0° |
| C94 | C93 | C91 | C89 | 179.8° | 179.9° |
| C94 | C93 | C91 | C97 | 0.3° | 0.3° |
| C93 | C94 | C95 | H35 | 179.9° | 180.0° |
| C95 | C94 | C93 | C91 | 0.3° | 0.0° |
| C94 | C95 | C96 | H35 | 180.0° | 180.0° |
| C94 | C95 | C96 | C97 | 0.0° | 0.2° |
| C95 | C94 | C93 | H33 | 179.8° | 180.0° |
| C94 | C95 | C96 | H36 | 180.0° | 180.0° |
| C93 | C91 | C89 | C97 | 179.9° | 179.8° |
| C93 | C91 | C97 | C96 | 0.1° | 0.5° |
| C93 | C91 | C89 | N87 | 59.2° | 89.8° |
| C93 | C91 | C89 | H31 | 179.6° | 30.2° |
| C93 | C91 | C89 | H32 | 61.2° | 150.3° |
| C91 | C93 | C94 | H34 | 179.8° | 180.0° |
| C93 | C91 | C97 | H37 | 179.9° | 179.7° |
| C95 | C96 | C97 | C91 | 0.0° | 0.4° |
| C95 | C96 | C97 | H36 | 180.0° | 179.9° |
| C96 | C95 | C94 | H34 | 179.9° | 179.9° |
| C95 | C96 | C97 | H37 | 180.0° | 179.7° |
| C89 | C91 | C97 | C96 | 179.9° | 179.7° |
| C91 | C89 | N87 | H31 | 120.4° | 120.0° |
| C91 | C89 | N87 | H32 | 120.4° | 120.0° |
| C91 | C89 | N87 | C85 | 174.0° | 180.0° |
| C91 | C89 | H31 | H32 | 118.7° | 120.0° |
| C89 | C91 | C93 | H33 | 0.2° | 0.0° |
| C89 | C91 | C97 | H37 | 0.1° | 0.1° |
| C91 | C89 | N87 | H41 | 65.5° | 56.0° |
| C91 | C97 | C96 | H37 | 180.0° | 179.9° |
| C97 | C91 | C89 | N87 | 120.8° | 90.0° |
| C97 | C91 | C89 | H31 | 0.4° | 150.0° |
| C97 | C91 | C89 | H32 | 118.7° | 29.9° |
| C97 | C91 | C93 | H33 | 179.8° | 179.8° |
| C91 | C97 | C96 | H36 | 180.0° | 179.7° |
| C97 | C96 | C95 | H35 | 180.0° | 179.8° |
| C89 | N87 | C85 | H41 | 120.4° | 124.0° |
| C89 | N87 | C85 | C75 | 86.6° | 180.0° |
| C89 | N87 | C85 | H29 | 33.8° | 60.0° |
| C89 | N87 | C85 | H30 | 152.9° | 60.0° |
| N87 | C89 | H31 | H32 | 118.7° | 120.0° |
| N87 | C85 | C75 | H29 | 120.4° | 120.0° |
| N87 | C85 | C75 | H30 | 120.5° | 120.0° |
| N87 | C85 | C75 | C76 | 72.0° | 105.0° |
| N87 | C85 | C75 | C74 | 108.0° | 75.5° |
| N87 | C85 | H29 | H30 | 118.7° | 120.0° |
| C85 | N87 | C89 | H31 | 53.6° | 60.0° |
| C85 | N87 | C89 | H32 | 65.5° | 60.0° |
| C85 | C75 | C76 | C74 | 180.0° | 179.5° |
| C85 | C75 | C76 | C70 | 180.0° | 179.9° |
| C85 | C75 | C74 | CL3 | 0.0° | 0.2° |
| C85 | C75 | C74 | C73 | 180.0° | 179.7° |
| C85 | C75 | C76 | H28 | 0.0° | 0.5° |
| C75 | C85 | H29 | H30 | 118.7° | 119.9° |
| C75 | C85 | N87 | H41 | 153.0° | 56.0° |
| C75 | C76 | C70 | H28 | 180.0° | 179.4° |
| C76 | C75 | C74 | CL3 | 180.0° | 179.7° |
| C76 | C75 | C74 | C73 | 0.0° | 0.2° |
| C75 | C76 | C70 | C68 | 180.0° | 179.7° |
| C75 | C76 | C70 | C72 | 0.1° | 0.6° |
| C76 | C75 | C85 | H29 | 167.5° | 135.0° |
| C76 | C75 | C85 | H30 | 48.4° | 15.0° |
| C74 | C75 | C76 | C70 | 0.0° | 0.6° |
| C75 | C74 | CL3 | C73 | 180.0° | 180.0° |
| C75 | C74 | C73 | C72 | 0.0° | 0.1° |
| C75 | C74 | C73 | H27 | 180.0° | 180.0° |
| C74 | C75 | C76 | H28 | 180.0° | 180.0° |
| C74 | C75 | C85 | H29 | 12.5° | 44.5° |
| C74 | C75 | C85 | H30 | 131.6° | 164.5° |
| C76 | C70 | C68 | C72 | 179.9° | 179.7° |
| C76 | C70 | C68 | C66 | 176.2° | 5.8° |
| C76 | C70 | C72 | C73 | 0.1° | 0.3° |
| C76 | C70 | C72 | H26 | 179.9° | 179.7° |
| CL3 | C74 | C73 | C72 | 180.0° | 180.0° |
| CL3 | C74 | C73 | H27 | 0.0° | 0.0° |
| CL4 | C55 | C56 | C54 | 180.0° | 179.7° |
| CL4 | C55 | C54 | C66 | 0.0° | 0.3° |
| CL4 | C55 | C56 | C57 | 180.0° | 180.0° |
| CL4 | C55 | C54 | C53 | 179.9° | 179.7° |
| CL4 | C55 | C56 | H24 | 0.0° | 0.3° |
| C74 | C73 | C72 | C70 | 0.1° | 0.0° |
| C74 | C73 | C72 | H27 | 180.0° | 179.9° |
| C74 | C73 | C72 | H26 | 179.9° | 180.0° |
| C68 | C70 | C72 | C73 | 180.0° | 180.0° |
| C70 | C68 | C66 | C54 | 21.8° | 164.7° |
| C68 | C70 | C72 | H26 | 0.0° | 0.0° |
| C68 | C70 | C76 | H28 | 0.1° | 0.3° |
| C72 | C70 | C68 | C66 | 3.9° | 174.5° |
| C70 | C72 | C73 | H26 | 180.0° | 180.0° |
| C70 | C72 | C73 | H27 | 179.9° | 180.0° |
| C72 | C70 | C76 | H28 | 179.9° | 180.0° |
| C68 | C66 | C54 | C55 | 176.1° | 20.8° |
| C68 | C66 | C54 | C53 | 4.0° | 159.2° |
| C56 | C55 | C54 | C66 | 179.9° | 180.0° |
| C55 | C56 | C57 | H24 | 180.0° | 179.7° |
| C56 | C55 | C54 | C53 | 0.1° | 0.0° |
| C55 | C56 | C57 | C51 | 0.1° | 0.6° |
| C55 | C56 | C57 | H25 | 179.9° | 180.0° |
| C55 | C54 | C66 | C53 | 179.9° | 180.0° |
| C54 | C55 | C56 | C57 | 0.0° | 0.3° |
| C55 | C54 | C53 | C51 | 0.2° | 0.0° |
| C55 | C54 | C53 | H23 | 179.9° | 180.0° |
| C54 | C55 | C56 | H24 | 180.0° | 180.0° |
| C66 | C54 | C53 | C51 | 179.9° | 179.9° |
| C66 | C54 | C53 | H23 | 0.0° | 0.0° |
| C56 | C57 | C51 | H25 | 180.0° | 179.4° |
| C56 | C57 | C51 | C53 | 0.2° | 0.6° |
| C56 | C57 | C51 | C15 | 180.0° | 179.8° |
| C54 | C53 | C51 | C57 | 0.3° | 0.3° |
| C54 | C53 | C51 | H23 | 180.0° | 179.9° |
| C54 | C53 | C51 | C15 | 180.0° | 180.0° |
| C57 | C51 | C53 | C15 | 179.8° | 179.6° |
| C57 | C51 | C15 | N14 | 36.4° | 144.7° |
| C57 | C51 | C15 | C1 | 144.3° | 35.2° |
| C57 | C51 | C53 | H23 | 179.8° | 179.7° |
| C51 | C57 | C56 | H24 | 179.9° | 179.7° |
| C53 | C51 | C15 | N14 | 143.4° | 34.9° |
| C53 | C51 | C15 | C1 | 36.0° | 145.2° |
| C53 | C51 | C57 | H25 | 179.8° | 180.0° |
| C51 | C15 | N14 | C1 | 179.5° | 179.9° |
| C51 | C15 | N14 | N13 | 179.5° | 180.0° |
| C51 | C15 | C1 | C6 | 0.5° | 0.1° |
| C51 | C15 | C1 | C2 | 179.6° | 179.8° |
| C15 | C51 | C53 | H23 | 0.0° | 0.1° |
| C15 | C51 | C57 | H25 | 0.0° | 0.3° |
| C38 | C39 | O40 | H15 | 120.3° | 119.9° |
| C38 | C39 | O40 | H16 | 120.3° | 119.9° |
| C39 | C38 | N36 | H13 | 120.0° | 120.0° |
| C39 | C38 | N36 | H14 | 120.0° | 119.9° |
| C38 | C39 | O40 | C41 | 44.6° | 58.7° |
| C39 | C38 | N36 | C34 | 167.1° | 177.6° |
| C39 | C38 | N36 | C42 | 56.0° | 58.6° |
| C39 | C38 | H13 | H14 | 120.1° | 120.1° |
| C38 | C39 | H15 | H16 | 119.2° | 120.1° |
| O40 | C39 | C38 | N36 | 73.2° | 56.9° |
| C39 | O40 | C41 | C42 | 6.7° | 58.7° |
| O40 | C39 | C38 | H13 | 46.8° | 63.1° |
| O40 | C39 | C38 | H14 | 166.9° | 176.8° |
| O40 | C39 | H15 | H16 | 119.1° | 120.1° |
| C39 | O40 | C41 | H17 | 115.4° | 178.6° |
| C39 | O40 | C41 | H18 | 128.7° | 61.2° |
| N14 | C15 | C1 | C6 | 179.9° | 179.9° |
| N14 | C15 | C1 | C2 | 0.2° | 0.2° |
| C15 | N14 | N13 | C2 | 0.1° | 0.3° |
| C15 | N14 | N13 | C30 | 179.9° | 179.9° |
| C1 | C15 | N14 | N13 | 0.1° | 0.1° |
| C15 | C1 | C6 | C2 | 179.9° | 179.9° |
| C15 | C1 | C6 | N5 | 164.1° | 168.7° |
| C15 | C1 | C2 | N13 | 0.3° | 0.4° |
| C15 | C1 | C2 | C3 | 179.8° | 179.6° |
| C15 | C1 | C6 | H7 | 44.0° | 49.3° |
| C15 | C1 | C6 | H8 | 76.0° | 72.0° |
| C38 | N36 | C34 | C42 | 133.0° | 123.7° |
| C38 | N36 | C34 | C32 | 60.5° | 66.1° |
| C38 | N36 | C42 | C41 | 18.5° | 58.6° |
| C38 | N36 | C42 | C49 | 146.6° | 178.6° |
| C38 | N36 | C34 | H1 | 60.7° | 53.9° |
| C38 | N36 | C34 | H2 | 178.4° | 174.0° |
| N36 | C38 | H13 | H14 | 120.1° | 120.1° |
| N36 | C38 | C39 | H15 | 47.1° | 63.1° |
| N36 | C38 | C39 | H16 | 166.5° | 176.8° |
| C38 | N36 | C42 | H19 | 98.3° | 61.4° |
| N14 | N13 | C2 | C1 | 0.3° | 0.4° |
| N14 | N13 | C2 | C30 | 179.7° | 179.8° |
| N14 | N13 | C2 | C3 | 179.8° | 179.6° |
| N14 | N13 | C30 | C32 | 72.3° | 89.8° |
| N14 | N13 | C30 | H3 | 48.2° | 150.2° |
| N14 | N13 | C30 | H4 | 167.1° | 30.2° |
| N28 | C24 | O26 | C20 | 179.8° | 180.0° |
| N28 | C24 | C20 | N5 | 0.1° | 173.5° |
| N28 | C24 | C20 | O22 | 180.0° | 6.5° |
| C24 | N28 | H38 | H39 | 180.0° | 180.0° |
| O40 | C41 | C42 | N36 | 7.0° | 56.8° |
| O40 | C41 | C42 | H17 | 122.0° | 120.0° |
| O40 | C41 | C42 | H18 | 122.0° | 119.9° |
| O40 | C41 | C42 | C49 | 121.8° | 176.8° |
| C41 | O40 | C39 | H15 | 75.7° | 61.2° |
| C41 | O40 | C39 | H16 | 164.9° | 178.6° |
| O40 | C41 | H17 | H18 | 113.3° | 120.1° |
| O40 | C41 | C42 | H19 | 124.2° | 63.2° |
| C1 | C6 | N5 | H7 | 120.0° | 119.4° |
| C1 | C6 | N5 | H8 | 120.0° | 119.4° |
| C6 | C1 | C2 | N13 | 179.8° | 179.7° |
| C6 | C1 | C2 | C3 | 0.3° | 0.3° |
| C1 | C6 | N5 | C20 | 129.5° | 135.8° |
| C1 | C6 | N5 | C4 | 49.8° | 44.5° |
| C1 | C6 | H7 | H8 | 120.0° | 121.1° |
| N5 | C6 | C1 | C2 | 15.8° | 11.2° |
| C6 | N5 | C20 | C24 | 0.3° | 6.8° |
| C6 | N5 | C20 | C4 | 179.3° | 179.7° |
| C6 | N5 | C20 | O22 | 179.6° | 173.3° |
| C6 | N5 | C4 | C3 | 69.4° | 64.7° |
| N5 | C6 | H7 | H8 | 120.0° | 121.1° |
| C6 | N5 | C4 | H9 | 170.6° | 55.1° |
| C6 | N5 | C4 | H10 | 50.8° | 175.3° |
| C1 | C2 | N13 | C3 | 179.5° | 180.0° |
| C1 | C2 | N13 | C30 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 15.8° | 17.8° |
| C2 | C1 | C6 | H7 | 135.8° | 130.6° |
| C2 | C1 | C6 | H8 | 104.2° | 108.1° |
| C1 | C2 | C3 | H11 | 135.5° | 101.9° |
| C1 | C2 | C3 | H12 | 104.0° | 137.7° |
| N36 | C34 | C32 | H1 | 121.1° | 120.0° |
| N36 | C34 | C32 | H2 | 121.2° | 119.9° |
| C34 | N36 | C42 | C41 | 151.7° | 177.6° |
| C34 | N36 | C42 | C49 | 80.2° | 57.6° |
| N36 | C34 | C32 | C30 | 177.2° | 180.0° |
| N36 | C34 | H1 | H2 | 116.3° | 120.0° |
| N36 | C34 | C32 | H5 | 56.5° | 60.1° |
| N36 | C34 | C32 | H6 | 62.2° | 60.0° |
| C34 | N36 | C38 | H13 | 72.9° | 62.4° |
| C34 | N36 | C38 | H14 | 47.1° | 57.6° |
| C34 | N36 | C42 | H19 | 34.8° | 62.4° |
| C42 | N36 | C34 | C32 | 72.5° | 170.3° |
| N36 | C42 | C41 | C49 | 128.8° | 120.0° |
| N36 | C42 | C41 | H19 | 117.1° | 120.0° |
| N36 | C42 | C49 | H19 | 115.5° | 120.1° |
| C42 | N36 | C34 | H1 | 166.3° | 69.7° |
| C42 | N36 | C34 | H2 | 48.6° | 50.3° |
| C42 | N36 | C38 | H13 | 64.0° | 61.4° |
| C42 | N36 | C38 | H14 | 175.9° | 178.6° |
| N36 | C42 | C41 | H17 | 129.1° | 176.8° |
| N36 | C42 | C41 | H18 | 115.0° | 63.1° |
| N36 | C42 | C49 | H20 | 180.0° | 179.8° |
| N36 | C42 | C49 | H21 | 60.0° | 60.2° |
| N36 | C42 | C49 | H22 | 60.0° | 59.8° |
| C34 | C32 | C30 | N13 | 13.6° | 180.0° |
| C34 | C32 | C30 | H5 | 120.7° | 119.9° |
| C34 | C32 | C30 | H6 | 120.7° | 120.0° |
| C32 | C34 | H1 | H2 | 116.3° | 120.0° |
| C34 | C32 | C30 | H3 | 134.1° | 60.0° |
| C34 | C32 | C30 | H4 | 107.0° | 60.0° |
| C34 | C32 | H5 | H6 | 118.0° | 120.1° |
| C2 | N13 | C30 | C32 | 108.0° | 90.0° |
| N13 | C2 | C3 | C4 | 163.7° | 162.2° |
| C2 | N13 | C30 | H3 | 131.5° | 30.0° |
| C2 | N13 | C30 | H4 | 12.6° | 150.0° |
| N13 | C2 | C3 | H11 | 43.9° | 78.1° |
| N13 | C2 | C3 | H12 | 76.6° | 42.3° |
| C30 | N13 | C2 | C3 | 0.5° | 0.2° |
| N13 | C30 | C32 | H3 | 120.6° | 120.0° |
| N13 | C30 | C32 | H4 | 120.6° | 120.0° |
| N13 | C30 | H3 | H4 | 118.3° | 120.0° |
| N13 | C30 | C32 | H5 | 134.2° | 60.1° |
| N13 | C30 | C32 | H6 | 107.1° | 60.0° |
| O26 | C24 | C20 | N5 | 179.8° | 6.5° |
| O26 | C24 | C20 | O22 | 0.3° | 173.5° |
| O26 | C24 | N28 | H38 | 0.0° | 0.0° |
| O26 | C24 | N28 | H39 | 180.0° | 180.0° |
| C24 | C20 | N5 | O22 | 179.9° | 180.0° |
| C24 | C20 | N5 | C4 | 179.5° | 173.0° |
| C20 | C24 | N28 | H38 | 179.8° | 180.0° |
| C20 | C24 | N28 | H39 | 0.2° | 0.0° |
| C41 | C42 | C49 | H19 | 114.2° | 120.1° |
| C42 | C41 | H17 | H18 | 113.3° | 120.1° |
| C41 | C42 | C49 | H20 | 49.7° | 60.0° |
| C41 | C42 | C49 | H21 | 169.7° | 180.0° |
| C41 | C42 | C49 | H22 | 70.3° | 60.0° |
| C2 | C3 | C4 | N5 | 48.2° | 45.4° |
| C2 | C3 | C4 | H11 | 119.7° | 119.8° |
| C2 | C3 | C4 | H12 | 119.7° | 119.9° |
| C2 | C3 | C4 | H9 | 168.3° | 74.5° |
| C2 | C3 | C4 | H10 | 71.9° | 165.4° |
| C2 | C3 | H11 | H12 | 120.8° | 120.4° |
| C49 | C42 | C41 | H17 | 0.3° | 63.2° |
| C49 | C42 | C41 | H18 | 116.2° | 56.9° |
| C42 | C49 | H20 | H21 | 120.0° | 120.0° |
| C42 | C49 | H20 | H22 | 120.0° | 120.0° |
| C42 | C49 | H21 | H22 | 120.0° | 119.9° |
| C30 | C32 | C34 | H1 | 61.7° | 60.0° |
| C30 | C32 | C34 | H2 | 56.0° | 60.1° |
| C32 | C30 | H3 | H4 | 118.2° | 120.0° |
| C30 | C32 | H5 | H6 | 118.0° | 120.0° |
| C20 | N5 | C4 | C3 | 110.0° | 115.5° |
| C20 | N5 | C6 | H7 | 9.5° | 16.4° |
| C20 | N5 | C6 | H8 | 110.5° | 104.8° |
| C20 | N5 | C4 | H9 | 10.0° | 124.6° |
| C20 | N5 | C4 | H10 | 129.9° | 4.4° |
| C4 | N5 | C20 | O22 | 0.4° | 7.0° |
| N5 | C4 | C3 | H9 | 120.1° | 119.9° |
| N5 | C4 | C3 | H10 | 120.1° | 120.0° |
| C4 | N5 | C6 | H7 | 169.8° | 163.9° |
| C4 | N5 | C6 | H8 | 70.2° | 74.9° |
| N5 | C4 | H9 | H10 | 119.8° | 120.2° |
| N5 | C4 | C3 | H11 | 168.0° | 74.4° |
| N5 | C4 | C3 | H12 | 71.5° | 165.2° |
| C3 | C4 | H9 | H10 | 119.8° | 120.1° |
| C4 | C3 | H11 | H12 | 120.8° | 120.4° |
| H1 | C34 | C32 | H5 | 177.7° | 60.0° |
| H1 | C34 | C32 | H6 | 59.0° | 180.0° |
| H2 | C34 | C32 | H5 | 64.6° | 180.0° |
| H2 | C34 | C32 | H6 | 176.6° | 59.9° |
| H3 | C30 | C32 | H5 | 105.2° | 180.0° |
| H3 | C30 | C32 | H6 | 13.5° | 60.0° |
| H4 | C30 | C32 | H5 | 13.7° | 60.0° |
| H4 | C30 | C32 | H6 | 132.3° | 180.0° |
| H9 | C4 | C3 | H11 | 72.0° | 165.7° |
| H9 | C4 | C3 | H12 | 48.6° | 45.3° |
| H10 | C4 | C3 | H11 | 47.9° | 45.6° |
| H10 | C4 | C3 | H12 | 168.4° | 74.8° |
| H13 | C38 | C39 | H15 | 167.1° | 177.0° |
| H13 | C38 | C39 | H16 | 73.5° | 56.8° |
| H14 | C38 | C39 | H15 | 72.9° | 56.9° |
| H14 | C38 | C39 | H16 | 46.6° | 63.3° |
| H17 | C41 | C42 | H19 | 113.8° | 56.8° |
| H18 | C41 | C42 | H19 | 2.2° | 176.9° |
| H19 | C42 | C49 | H20 | 64.5° | 60.1° |
| H19 | C42 | C49 | H21 | 55.5° | 59.9° |
| H19 | C42 | C49 | H22 | 175.5° | 179.9° |
| H20 | C49 | H21 | H22 | 120.0° | 120.1° |
| H24 | C56 | C57 | H25 | 0.1° | 0.3° |
| H26 | C72 | C73 | H27 | 0.1° | 0.0° |
| H29 | C85 | N87 | H41 | 86.6° | 64.0° |
| H30 | C85 | N87 | H41 | 32.5° | 175.9° |
| H31 | C89 | N87 | H41 | 174.0° | 176.0° |
| H32 | C89 | N87 | H41 | 54.9° | 64.0° |
| H33 | C93 | C94 | H34 | 0.2° | 0.0° |
| H34 | C94 | C95 | H35 | 0.1° | 0.0° |
| H35 | C95 | C96 | H36 | 0.0° | 0.1° |
| H36 | C96 | C97 | H37 | 0.0° | 0.1° |
