DMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.32Å | 1.33Å | |
| C1 | N7 | sing | 1.34Å | 1.34Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C30 | sing | 1.53Å | 1.55Å | |
| C3 | N2 | sing | 1.46Å | 1.47Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.52Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C60 | sing | 1.53Å | 1.53Å | |
| C6 | N7 | sing | 1.46Å | 1.46Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | N2 | sing | 1.46Å | 1.46Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | C27 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | O27 | sing | 1.43Å | 1.44Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.51Å | 1.50Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C60 | C61 | sing | 1.51Å | 1.52Å | |
| C60 | H601 | sing | 1.09Å | 1.11Å | |
| C60 | H602 | sing | 1.09Å | 1.12Å | |
| C61 | C62 | doub | 1.38Å | 1.42Å | Aromatic |
| C61 | C66 | sing | 1.38Å | 1.42Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.41Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.10Å | |
| C63 | C64 | doub | 1.38Å | 1.41Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.10Å | |
| C64 | C65 | sing | 1.38Å | 1.42Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | doub | 1.38Å | 1.41Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.10Å | |
| C66 | H66 | sing | 1.08Å | 1.10Å | |
| C70 | C71 | sing | 1.51Å | 1.49Å | |
| C70 | N7 | sing | 1.46Å | 1.44Å | |
| C70 | H701 | sing | 1.09Å | 1.12Å | |
| C70 | H702 | sing | 1.09Å | 1.11Å | |
| C71 | C72 | doub | 1.38Å | 1.41Å | Aromatic |
| C71 | C76 | sing | 1.38Å | 1.42Å | Aromatic |
| C72 | C73 | sing | 1.38Å | 1.40Å | Aromatic |
| C72 | H72 | sing | 1.08Å | 1.10Å | |
| C73 | C74 | doub | 1.38Å | 1.42Å | Aromatic |
| C73 | H73 | sing | 1.08Å | 1.10Å | |
| C74 | C75 | sing | 1.38Å | 1.42Å | Aromatic |
| C74 | C77 | sing | 1.51Å | 1.51Å | |
| C75 | C76 | doub | 1.38Å | 1.42Å | Aromatic |
| C75 | H75 | sing | 1.08Å | 1.10Å | |
| C76 | H76 | sing | 1.08Å | 1.10Å | |
| C77 | O77 | sing | 1.43Å | 1.43Å | |
| C77 | H771 | sing | 1.09Å | 1.12Å | |
| C77 | H772 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| O77 | HO77 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | N7 | 122.7° | 126.1° |
| N2 | C1 | O1 | 117.9° | 117.0° |
| C1 | N2 | C3 | 123.0° | 124.2° |
| C1 | N2 | C20 | 116.5° | 117.9° |
| N7 | C1 | O1 | 119.4° | 116.9° |
| C1 | N7 | C6 | 126.4° | 121.3° |
| C1 | N7 | C70 | 115.9° | 119.3° |
| C4 | C3 | C30 | 116.6° | 109.2° |
| C4 | C3 | N2 | 116.5° | 110.7° |
| C4 | C3 | H3 | 98.1° | 109.2° |
| C3 | C4 | C5 | 109.6° | 111.9° |
| C3 | C4 | O4 | 105.0° | 109.0° |
| C3 | C4 | H4 | 113.0° | 109.0° |
| C30 | C3 | N2 | 108.6° | 109.3° |
| C30 | C3 | H3 | 107.9° | 109.2° |
| C3 | C30 | C31 | 110.5° | 109.5° |
| C3 | C30 | H301 | 111.8° | 109.5° |
| C3 | C30 | H302 | 111.8° | 109.5° |
| N2 | C3 | H3 | 108.0° | 109.2° |
| C3 | N2 | C20 | 119.8° | 117.9° |
| C5 | C4 | O4 | 111.5° | 109.1° |
| C5 | C4 | H4 | 106.7° | 109.0° |
| C4 | C5 | C6 | 111.8° | 111.5° |
| C4 | C5 | O5 | 110.7° | 109.0° |
| C4 | C5 | H5 | 105.9° | 109.0° |
| O4 | C4 | H4 | 111.2° | 108.9° |
| C4 | O4 | HO4 | 105.0° | 106.8° |
| C6 | C5 | O5 | 105.9° | 109.0° |
| C6 | C5 | H5 | 110.8° | 109.1° |
| C5 | C6 | C60 | 117.5° | 109.2° |
| C5 | C6 | N7 | 118.8° | 110.9° |
| C5 | C6 | H6 | 94.5° | 109.2° |
| O5 | C5 | H5 | 111.9° | 109.1° |
| C5 | O5 | HO5 | 110.7° | 106.8° |
| C60 | C6 | N7 | 106.9° | 109.1° |
| C60 | C6 | H6 | 109.8° | 109.2° |
| C6 | C60 | C61 | 112.3° | 109.5° |
| C6 | C60 | H601 | 111.2° | 109.5° |
| C6 | C60 | H602 | 111.2° | 109.4° |
| N7 | C6 | H6 | 108.1° | 109.2° |
| C6 | N7 | C70 | 116.9° | 119.4° |
| C21 | C20 | N2 | 118.5° | 109.5° |
| C21 | C20 | H201 | 109.0° | 109.5° |
| C21 | C20 | H202 | 108.9° | 109.5° |
| C20 | C21 | C22 | 124.5° | 120.0° |
| C20 | C21 | C26 | 115.5° | 120.0° |
| N2 | C20 | H201 | 109.0° | 109.5° |
| N2 | C20 | H202 | 109.0° | 109.5° |
| H201 | C20 | H202 | 101.1° | 109.4° |
| C22 | C21 | C26 | 120.0° | 120.0° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C21 | C26 | C25 | 120.1° | 120.0° |
| C21 | C26 | H26 | 120.0° | 120.0° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C22 | C23 | C24 | 119.5° | 120.0° |
| C22 | C23 | H23 | 120.4° | 120.0° |
| C24 | C23 | H23 | 120.0° | 120.0° |
| C23 | C24 | C25 | 119.8° | 120.0° |
| C23 | C24 | C27 | 120.5° | 120.0° |
| C25 | C24 | C27 | 119.7° | 120.0° |
| C24 | C25 | C26 | 120.4° | 120.0° |
| C24 | C25 | H25 | 120.4° | 119.9° |
| C24 | C27 | O27 | 111.8° | 109.5° |
| C24 | C27 | H271 | 111.4° | 109.5° |
| C24 | C27 | H272 | 111.4° | 109.5° |
| C26 | C25 | H25 | 119.2° | 120.1° |
| C25 | C26 | H26 | 119.9° | 119.9° |
| O27 | C27 | H271 | 111.4° | 109.5° |
| O27 | C27 | H272 | 111.4° | 109.4° |
| C27 | O27 | HO27 | 111.8° | 106.8° |
| H271 | C27 | H272 | 99.0° | 109.4° |
| C31 | C30 | H301 | 111.8° | 109.5° |
| C31 | C30 | H302 | 111.8° | 109.4° |
| C30 | C31 | C32 | 121.5° | 120.0° |
| C30 | C31 | C36 | 118.1° | 120.0° |
| H301 | C30 | H302 | 98.6° | 109.5° |
| C32 | C31 | C36 | 120.3° | 120.0° |
| C31 | C32 | C33 | 119.5° | 120.0° |
| C31 | C32 | H32 | 120.3° | 120.0° |
| C31 | C36 | C35 | 120.3° | 120.0° |
| C31 | C36 | H36 | 120.1° | 120.0° |
| C33 | C32 | H32 | 120.2° | 120.0° |
| C32 | C33 | C34 | 120.1° | 120.0° |
| C32 | C33 | H33 | 119.8° | 120.0° |
| C34 | C33 | H33 | 120.1° | 120.0° |
| C33 | C34 | C35 | 120.4° | 120.0° |
| C33 | C34 | H34 | 119.8° | 120.0° |
| C35 | C34 | H34 | 119.8° | 120.0° |
| C34 | C35 | C36 | 119.4° | 120.0° |
| C34 | C35 | H35 | 120.4° | 120.0° |
| C36 | C35 | H35 | 120.2° | 120.0° |
| C35 | C36 | H36 | 119.7° | 120.0° |
| C61 | C60 | H601 | 111.2° | 109.5° |
| C61 | C60 | H602 | 111.1° | 109.5° |
| C60 | C61 | C62 | 119.0° | 120.0° |
| C60 | C61 | C66 | 120.7° | 120.0° |
| H601 | C60 | H602 | 99.2° | 109.4° |
| C62 | C61 | C66 | 120.3° | 120.0° |
| C61 | C62 | C63 | 119.8° | 120.0° |
| C61 | C62 | H62 | 120.3° | 120.0° |
| C61 | C66 | C65 | 119.8° | 120.0° |
| C61 | C66 | H66 | 120.3° | 120.0° |
| C63 | C62 | H62 | 119.9° | 120.0° |
| C62 | C63 | C64 | 119.9° | 120.0° |
| C62 | C63 | H63 | 120.0° | 120.0° |
| C64 | C63 | H63 | 120.1° | 119.9° |
| C63 | C64 | C65 | 120.3° | 120.0° |
| C63 | C64 | H64 | 119.9° | 120.0° |
| C65 | C64 | H64 | 119.8° | 120.0° |
| C64 | C65 | C66 | 119.9° | 120.0° |
| C64 | C65 | H65 | 120.2° | 120.0° |
| C66 | C65 | H65 | 119.9° | 120.0° |
| C65 | C66 | H66 | 119.9° | 120.0° |
| C71 | C70 | N7 | 118.1° | 109.5° |
| C71 | C70 | H701 | 109.1° | 109.5° |
| C71 | C70 | H702 | 109.1° | 109.5° |
| C70 | C71 | C72 | 114.5° | 120.1° |
| C70 | C71 | C76 | 123.5° | 120.0° |
| N7 | C70 | H701 | 109.1° | 109.4° |
| N7 | C70 | H702 | 109.1° | 109.5° |
| H701 | C70 | H702 | 101.0° | 109.5° |
| C72 | C71 | C76 | 121.8° | 120.0° |
| C71 | C72 | C73 | 119.5° | 120.0° |
| C71 | C72 | H72 | 120.6° | 120.0° |
| C71 | C76 | C75 | 118.6° | 120.0° |
| C71 | C76 | H76 | 120.7° | 120.0° |
| C73 | C72 | H72 | 119.9° | 120.0° |
| C72 | C73 | C74 | 120.1° | 120.0° |
| C72 | C73 | H73 | 119.2° | 120.0° |
| C74 | C73 | H73 | 120.7° | 120.0° |
| C73 | C74 | C75 | 120.3° | 120.0° |
| C73 | C74 | C77 | 119.0° | 120.0° |
| C75 | C74 | C77 | 120.6° | 120.0° |
| C74 | C75 | C76 | 119.7° | 120.0° |
| C74 | C75 | H75 | 120.5° | 119.9° |
| C74 | C77 | O77 | 112.3° | 109.5° |
| C74 | C77 | H771 | 111.1° | 109.5° |
| C74 | C77 | H772 | 111.1° | 109.4° |
| C76 | C75 | H75 | 119.8° | 120.0° |
| C75 | C76 | H76 | 120.7° | 120.0° |
| O77 | C77 | H771 | 111.2° | 109.5° |
| O77 | C77 | H772 | 111.2° | 109.4° |
| C77 | O77 | HO77 | 112.3° | 106.8° |
| H771 | C77 | H772 | 99.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | N7 | O1 | 178.9° | 179.5° |
| C1 | N2 | C3 | C4 | 71.0° | 43.3° |
| C1 | N2 | C3 | C30 | 63.1° | 76.9° |
| C1 | N2 | C3 | C20 | 170.2° | 179.8° |
| C1 | N2 | C3 | H3 | 179.9° | 163.6° |
| N2 | C1 | N7 | C6 | 32.0° | 17.0° |
| C1 | N2 | C20 | C21 | 125.9° | 85.5° |
| C1 | N2 | C20 | H201 | 0.6° | 154.4° |
| C1 | N2 | C20 | H202 | 108.8° | 34.5° |
| N2 | C1 | N7 | C70 | 158.6° | 162.7° |
| N7 | C1 | N2 | C3 | 24.0° | 8.2° |
| C1 | N7 | C6 | C5 | 64.5° | 78.5° |
| C1 | N7 | C6 | C60 | 71.4° | 161.2° |
| C1 | N7 | C6 | C70 | 169.3° | 179.7° |
| C1 | N7 | C6 | H6 | 170.4° | 41.9° |
| N7 | C1 | N2 | C20 | 165.5° | 172.1° |
| C1 | N7 | C70 | C71 | 136.0° | 84.1° |
| C1 | N7 | C70 | H701 | 10.8° | 35.9° |
| C1 | N7 | C70 | H702 | 98.7° | 155.9° |
| O1 | C1 | N2 | C3 | 154.9° | 172.3° |
| O1 | C1 | N7 | C6 | 149.1° | 162.5° |
| O1 | C1 | N2 | C20 | 15.6° | 7.5° |
| O1 | C1 | N7 | C70 | 20.3° | 17.7° |
| C4 | C3 | C30 | N2 | 134.0° | 121.2° |
| C4 | C3 | C30 | H3 | 109.1° | 119.3° |
| C4 | C3 | N2 | H3 | 109.1° | 120.3° |
| C3 | C4 | C5 | O4 | 115.8° | 120.6° |
| C3 | C4 | C5 | H4 | 122.6° | 120.6° |
| C3 | C4 | O4 | H4 | 122.5° | 118.8° |
| C3 | C4 | C5 | C6 | 67.1° | 31.0° |
| C3 | C4 | C5 | O5 | 175.1° | 151.5° |
| C3 | C4 | C5 | H5 | 53.6° | 89.5° |
| C4 | C3 | N2 | C20 | 118.8° | 136.4° |
| C4 | C3 | C30 | C31 | 138.8° | 106.9° |
| C4 | C3 | C30 | H301 | 13.6° | 13.2° |
| C4 | C3 | C30 | H302 | 95.9° | 133.2° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C30 | C3 | N2 | H3 | 116.8° | 119.4° |
| C30 | C3 | C4 | C5 | 51.9° | 34.8° |
| C30 | C3 | C4 | O4 | 68.0° | 85.9° |
| C30 | C3 | C4 | H4 | 170.7° | 155.3° |
| C30 | C3 | N2 | C20 | 107.1° | 103.3° |
| C3 | C30 | C31 | H301 | 125.3° | 120.1° |
| C3 | C30 | C31 | H302 | 125.2° | 120.0° |
| C3 | C30 | H301 | H302 | 117.7° | 120.0° |
| C3 | C30 | C31 | C32 | 82.8° | 79.5° |
| C3 | C30 | C31 | C36 | 92.5° | 100.7° |
| N2 | C3 | C4 | C5 | 78.5° | 85.5° |
| N2 | C3 | C4 | O4 | 161.6° | 153.8° |
| N2 | C3 | C4 | H4 | 40.3° | 35.0° |
| C3 | N2 | C20 | C21 | 63.3° | 94.7° |
| C3 | N2 | C20 | H201 | 171.4° | 25.4° |
| C3 | N2 | C20 | H202 | 62.0° | 145.3° |
| N2 | C3 | C30 | C31 | 87.1° | 131.9° |
| N2 | C3 | C30 | H301 | 147.6° | 108.1° |
| N2 | C3 | C30 | H302 | 38.1° | 11.9° |
| H3 | C3 | C4 | C5 | 166.6° | 154.2° |
| H3 | C3 | C4 | O4 | 46.7° | 33.5° |
| H3 | C3 | C4 | H4 | 74.6° | 85.3° |
| H3 | C3 | N2 | C20 | 9.7° | 16.2° |
| H3 | C3 | C30 | C31 | 29.7° | 12.5° |
| H3 | C3 | C30 | H301 | 95.5° | 132.5° |
| H3 | C3 | C30 | H302 | 155.0° | 107.5° |
| C5 | C4 | O4 | H4 | 118.9° | 118.8° |
| C4 | C5 | C6 | O5 | 120.7° | 120.4° |
| C4 | C5 | C6 | H5 | 117.9° | 120.5° |
| C4 | C5 | O5 | H5 | 117.9° | 119.0° |
| C4 | C5 | C6 | C60 | 65.9° | 173.8° |
| C4 | C5 | C6 | N7 | 65.4° | 53.5° |
| C4 | C5 | C6 | H6 | 179.0° | 66.9° |
| C5 | C4 | O4 | HO4 | 61.4° | 57.6° |
| C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
| O4 | C4 | C5 | C6 | 177.0° | 151.7° |
| O4 | C4 | C5 | O5 | 59.2° | 87.9° |
| O4 | C4 | C5 | H5 | 62.2° | 31.1° |
| H4 | C4 | C5 | C6 | 55.5° | 89.5° |
| H4 | C4 | C5 | O5 | 62.3° | 30.9° |
| H4 | C4 | C5 | H5 | 176.2° | 149.9° |
| H4 | C4 | O4 | HO4 | 57.5° | 61.2° |
| C6 | C5 | O5 | H5 | 120.8° | 119.1° |
| C5 | C6 | C60 | N7 | 136.6° | 121.3° |
| C5 | C6 | C60 | H6 | 106.3° | 119.4° |
| C5 | C6 | N7 | H6 | 105.9° | 120.4° |
| C5 | C6 | C60 | C61 | 150.4° | 63.8° |
| C5 | C6 | C60 | H601 | 25.1° | 56.2° |
| C5 | C6 | C60 | H602 | 84.4° | 176.1° |
| C5 | C6 | N7 | C70 | 126.2° | 101.2° |
| C6 | C5 | O5 | HO5 | 58.6° | 178.1° |
| O5 | C5 | C6 | C60 | 54.8° | 53.3° |
| O5 | C5 | C6 | N7 | 173.9° | 66.9° |
| O5 | C5 | C6 | H6 | 60.4° | 172.7° |
| H5 | C5 | C6 | C60 | 176.2° | 65.7° |
| H5 | C5 | C6 | N7 | 52.4° | 174.1° |
| H5 | C5 | C6 | H6 | 61.1° | 53.6° |
| H5 | C5 | O5 | HO5 | 62.1° | 59.0° |
| C60 | C6 | N7 | H6 | 118.2° | 119.3° |
| C6 | C60 | C61 | H601 | 125.3° | 120.0° |
| C6 | C60 | C61 | H602 | 125.2° | 120.0° |
| C6 | C60 | H601 | H602 | 117.1° | 119.9° |
| C6 | C60 | C61 | C62 | 82.0° | 95.8° |
| C6 | C60 | C61 | C66 | 98.0° | 84.5° |
| C60 | C6 | N7 | C70 | 97.9° | 19.1° |
| N7 | C6 | C60 | C61 | 73.1° | 174.8° |
| N7 | C6 | C60 | H601 | 161.6° | 65.1° |
| N7 | C6 | C60 | H602 | 52.2° | 54.8° |
| C6 | N7 | C70 | C71 | 53.5° | 95.6° |
| C6 | N7 | C70 | H701 | 178.8° | 144.4° |
| C6 | N7 | C70 | H702 | 71.8° | 24.4° |
| H6 | C6 | C60 | C61 | 44.0° | 55.5° |
| H6 | C6 | C60 | H601 | 81.3° | 175.6° |
| H6 | C6 | C60 | H602 | 169.3° | 64.5° |
| H6 | C6 | N7 | C70 | 20.3° | 138.4° |
| C21 | C20 | N2 | H201 | 125.3° | 120.1° |
| C21 | C20 | N2 | H202 | 125.3° | 120.0° |
| C21 | C20 | H201 | H202 | 114.6° | 120.0° |
| C20 | C21 | C22 | C26 | 178.8° | 180.0° |
| C20 | C21 | C22 | C23 | 179.4° | 180.0° |
| C20 | C21 | C22 | H22 | 0.6° | 0.0° |
| C20 | C21 | C26 | C25 | 179.3° | 179.8° |
| C20 | C21 | C26 | H26 | 0.7° | 0.0° |
| N2 | C20 | H201 | H202 | 114.7° | 120.0° |
| N2 | C20 | C21 | C22 | 35.7° | 82.2° |
| N2 | C20 | C21 | C26 | 145.5° | 97.8° |
| H201 | C20 | C21 | C22 | 89.6° | 157.8° |
| H201 | C20 | C21 | C26 | 89.2° | 22.3° |
| H202 | C20 | C21 | C22 | 161.0° | 37.8° |
| H202 | C20 | C21 | C26 | 20.2° | 142.2° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.7° | 0.1° |
| C21 | C22 | C23 | H23 | 178.4° | 180.0° |
| C22 | C21 | C26 | C25 | 1.8° | 0.1° |
| C22 | C21 | C26 | H26 | 178.1° | 180.0° |
| C26 | C21 | C22 | C23 | 1.8° | 0.0° |
| C26 | C21 | C22 | H22 | 178.2° | 179.9° |
| C21 | C26 | C25 | C24 | 1.8° | 0.4° |
| C21 | C26 | C25 | H26 | 180.0° | 179.9° |
| C21 | C26 | C25 | H25 | 178.2° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.6° | 0.4° |
| C22 | C23 | C24 | C27 | 179.5° | 180.0° |
| H22 | C22 | C23 | C24 | 178.3° | 179.9° |
| H22 | C22 | C23 | H23 | 1.6° | 0.1° |
| C23 | C24 | C25 | C27 | 177.9° | 179.7° |
| C23 | C24 | C25 | C26 | 1.7° | 0.5° |
| C23 | C24 | C25 | H25 | 178.3° | 179.9° |
| C23 | C24 | C27 | O27 | 141.3° | 85.1° |
| C23 | C24 | C27 | H271 | 93.5° | 35.0° |
| C23 | C24 | C27 | H272 | 16.0° | 154.9° |
| H23 | C23 | C24 | C25 | 178.4° | 179.8° |
| H23 | C23 | C24 | C27 | 0.5° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.6° |
| C24 | C25 | C26 | H26 | 178.2° | 179.7° |
| C25 | C24 | C27 | O27 | 36.7° | 95.3° |
| C25 | C24 | C27 | H271 | 88.6° | 144.7° |
| C25 | C24 | C27 | H272 | 161.9° | 24.7° |
| C27 | C24 | C25 | C26 | 179.6° | 179.8° |
| C27 | C24 | C25 | H25 | 0.4° | 0.2° |
| C24 | C27 | O27 | H271 | 125.2° | 120.0° |
| C24 | C27 | O27 | H272 | 125.3° | 120.1° |
| C24 | C27 | H271 | H272 | 117.3° | 120.0° |
| C24 | C27 | O27 | HO27 | 180.0° | 180.0° |
| H25 | C25 | C26 | H26 | 1.8° | 0.2° |
| O27 | C27 | H271 | H272 | 117.2° | 119.9° |
| H271 | C27 | O27 | HO27 | 54.7° | 60.0° |
| H272 | C27 | O27 | HO27 | 54.7° | 59.9° |
| C31 | C30 | H301 | H302 | 117.7° | 119.9° |
| C30 | C31 | C32 | C36 | 175.2° | 179.8° |
| C30 | C31 | C32 | C33 | 175.0° | 180.0° |
| C30 | C31 | C32 | H32 | 5.0° | 0.0° |
| C30 | C31 | C36 | C35 | 175.7° | 179.8° |
| C30 | C31 | C36 | H36 | 4.3° | 0.2° |
| H301 | C30 | C31 | C32 | 151.9° | 40.6° |
| H301 | C30 | C31 | C36 | 32.8° | 139.2° |
| H302 | C30 | C31 | C32 | 42.4° | 160.5° |
| H302 | C30 | C31 | C36 | 142.3° | 19.2° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H33 | 180.0° | 179.9° |
| C32 | C31 | C36 | C35 | 0.4° | 0.5° |
| C32 | C31 | C36 | H36 | 179.6° | 179.9° |
| C36 | C31 | C32 | C33 | 0.1° | 0.3° |
| C36 | C31 | C32 | H32 | 179.9° | 179.8° |
| C31 | C36 | C35 | C34 | 1.0° | 0.4° |
| C31 | C36 | C35 | H36 | 180.0° | 179.6° |
| C31 | C36 | C35 | H35 | 179.0° | 179.7° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.7° | 0.0° |
| C32 | C33 | C34 | H34 | 179.3° | 179.9° |
| H32 | C32 | C33 | C34 | 180.0° | 180.0° |
| H32 | C32 | C33 | H33 | 0.0° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 1.1° | 0.2° |
| C33 | C34 | C35 | H35 | 178.9° | 180.0° |
| H33 | C33 | C34 | C35 | 179.4° | 180.0° |
| H33 | C33 | C34 | H34 | 0.6° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.8° |
| C34 | C35 | C36 | H36 | 179.0° | 180.0° |
| H34 | C34 | C35 | C36 | 178.9° | 179.9° |
| H34 | C34 | C35 | H35 | 1.1° | 0.0° |
| H35 | C35 | C36 | H36 | 1.0° | 0.1° |
| C61 | C60 | H601 | H602 | 117.0° | 120.0° |
| C60 | C61 | C62 | C66 | 180.0° | 179.7° |
| C60 | C61 | C62 | C63 | 179.4° | 180.0° |
| C60 | C61 | C62 | H62 | 0.6° | 0.0° |
| C60 | C61 | C66 | C65 | 178.7° | 179.8° |
| C60 | C61 | C66 | H66 | 1.3° | 0.3° |
| H601 | C60 | C61 | C62 | 43.3° | 24.2° |
| H601 | C60 | C61 | C66 | 136.7° | 155.5° |
| H602 | C60 | C61 | C62 | 152.7° | 144.2° |
| H602 | C60 | C61 | C66 | 27.2° | 35.5° |
| C61 | C62 | C63 | H62 | 180.0° | 180.0° |
| C61 | C62 | C63 | C64 | 0.2° | 0.0° |
| C61 | C62 | C63 | H63 | 179.8° | 180.0° |
| C62 | C61 | C66 | C65 | 1.3° | 0.5° |
| C62 | C61 | C66 | H66 | 178.6° | 180.0° |
| C66 | C61 | C62 | C63 | 0.6° | 0.3° |
| C66 | C61 | C62 | H62 | 179.4° | 179.7° |
| C61 | C66 | C65 | C64 | 1.6° | 0.4° |
| C61 | C66 | C65 | H66 | 180.0° | 179.5° |
| C61 | C66 | C65 | H65 | 178.4° | 179.7° |
| C62 | C63 | C64 | H63 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 0.5° | 0.1° |
| C62 | C63 | C64 | H64 | 179.5° | 180.0° |
| H62 | C62 | C63 | C64 | 179.8° | 180.0° |
| H62 | C62 | C63 | H63 | 0.2° | 0.0° |
| C63 | C64 | C65 | H64 | 180.0° | 179.9° |
| C63 | C64 | C65 | C66 | 1.1° | 0.2° |
| C63 | C64 | C65 | H65 | 178.9° | 180.0° |
| H63 | C63 | C64 | C65 | 179.6° | 179.9° |
| H63 | C63 | C64 | H64 | 0.5° | 0.0° |
| C64 | C65 | C66 | H65 | 180.0° | 179.9° |
| C64 | C65 | C66 | H66 | 178.4° | 180.0° |
| H64 | C64 | C65 | C66 | 178.8° | 179.8° |
| H64 | C64 | C65 | H65 | 1.2° | 0.1° |
| H65 | C65 | C66 | H66 | 1.6° | 0.2° |
| C71 | C70 | N7 | H701 | 125.3° | 120.0° |
| C71 | C70 | N7 | H702 | 125.3° | 120.1° |
| C71 | C70 | H701 | H702 | 114.9° | 120.1° |
| C70 | C71 | C72 | C76 | 174.4° | 179.6° |
| C70 | C71 | C72 | C73 | 172.1° | 180.0° |
| C70 | C71 | C72 | H72 | 7.9° | 0.1° |
| C70 | C71 | C76 | C75 | 171.5° | 179.9° |
| C70 | C71 | C76 | H76 | 8.5° | 0.3° |
| N7 | C70 | H701 | H702 | 114.8° | 120.0° |
| N7 | C70 | C71 | C72 | 137.6° | 90.0° |
| N7 | C70 | C71 | C76 | 48.1° | 90.3° |
| H701 | C70 | C71 | C72 | 97.1° | 29.9° |
| H701 | C70 | C71 | C76 | 77.1° | 149.7° |
| H702 | C70 | C71 | C72 | 12.3° | 150.0° |
| H702 | C70 | C71 | C76 | 173.4° | 29.7° |
| C71 | C72 | C73 | H72 | 180.0° | 180.0° |
| C71 | C72 | C73 | C74 | 1.2° | 0.0° |
| C71 | C72 | C73 | H73 | 178.8° | 179.9° |
| C72 | C71 | C76 | C75 | 2.4° | 0.5° |
| C72 | C71 | C76 | H76 | 177.6° | 179.9° |
| C76 | C71 | C72 | C73 | 2.3° | 0.3° |
| C76 | C71 | C72 | H72 | 177.7° | 179.7° |
| C71 | C76 | C75 | C74 | 1.5° | 0.4° |
| C71 | C76 | C75 | H76 | 180.0° | 179.6° |
| C71 | C76 | C75 | H75 | 178.5° | 179.7° |
| C72 | C73 | C74 | H73 | 180.0° | 180.0° |
| C72 | C73 | C74 | C75 | 0.3° | 0.1° |
| C72 | C73 | C74 | C77 | 178.0° | 179.9° |
| H72 | C72 | C73 | C74 | 178.8° | 180.0° |
| H72 | C72 | C73 | H73 | 1.2° | 0.0° |
| C73 | C74 | C75 | C77 | 177.7° | 180.0° |
| C73 | C74 | C75 | C76 | 0.4° | 0.1° |
| C73 | C74 | C75 | H75 | 179.5° | 180.0° |
| C73 | C74 | C77 | O77 | 40.0° | 90.0° |
| C73 | C74 | C77 | H771 | 85.3° | 150.0° |
| C73 | C74 | C77 | H772 | 165.2° | 30.0° |
| H73 | C73 | C74 | C75 | 179.7° | 180.0° |
| H73 | C73 | C74 | C77 | 2.0° | 0.0° |
| C74 | C75 | C76 | H75 | 180.0° | 179.9° |
| C74 | C75 | C76 | H76 | 178.5° | 180.0° |
| C75 | C74 | C77 | O77 | 142.3° | 90.0° |
| C75 | C74 | C77 | H771 | 92.4° | 30.0° |
| C75 | C74 | C77 | H772 | 17.1° | 150.1° |
| C77 | C74 | C75 | C76 | 178.1° | 179.9° |
| C77 | C74 | C75 | H75 | 1.9° | 0.0° |
| C74 | C77 | O77 | H771 | 125.2° | 120.0° |
| C74 | C77 | O77 | H772 | 125.3° | 119.9° |
| C74 | C77 | H771 | H772 | 117.0° | 120.0° |
| C74 | C77 | O77 | HO77 | 180.0° | 180.0° |
| H75 | C75 | C76 | H76 | 1.5° | 0.2° |
| O77 | C77 | H771 | H772 | 117.1° | 120.0° |
| H771 | C77 | O77 | HO77 | 54.8° | 60.0° |
| H772 | C77 | O77 | HO77 | 54.8° | 60.0° |
