L86
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C2 | doub | 1.38Å | 1.46Å | Aromatic |
| C8 | C6 | sing | 1.38Å | 1.46Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C2 | C10 | sing | 1.38Å | 1.46Å | Aromatic |
| C2 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C4 | doub | 1.38Å | 1.46Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.46Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.46Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C11 | C1 | sing | 1.53Å | 1.56Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C1 | N18 | sing | 1.48Å | 1.48Å | |
| C1 | C7 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| N18 | C21 | sing | 1.40Å | 1.42Å | |
| N18 | H18 | sing | 0.98Å | 1.02Å | |
| C21 | C22 | sing | 1.46Å | 1.47Å | Aromatic |
| C21 | N3 | doub | 1.32Å | 1.42Å | Aromatic |
| C22 | N23 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | O28 | doub | 1.22Å | 1.23Å | |
| N23 | C24 | sing | 1.36Å | 1.46Å | Aromatic |
| N23 | C33 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | doub | 1.36Å | 1.40Å | Aromatic |
| C24 | CL2 | sing | 1.74Å | 1.69Å | |
| C25 | N3 | sing | 1.33Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | N37 | sing | 1.37Å | 1.35Å | |
| C34 | O38 | doub | 1.21Å | 1.23Å | |
| N37 | C39 | sing | 1.48Å | 1.48Å | |
| N37 | H37 | sing | 0.97Å | 1.02Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C40 | C43 | doub | 1.38Å | 1.45Å | Aromatic |
| C40 | C15 | sing | 1.39Å | 1.46Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.45Å | Aromatic |
| C43 | C9 | sing | 1.51Å | 1.53Å | |
| C44 | C45 | doub | 1.38Å | 1.45Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C45 | C50 | sing | 1.38Å | 1.45Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.10Å | |
| C15 | C50 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C9 | C3 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C50 | H50 | sing | 1.08Å | 1.10Å | |
| C3 | N5 | sing | 1.45Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C7 | N2 | sing | 1.45Å | 1.49Å | |
| C7 | H71 | sing | 1.10Å | 1.12Å | |
| C7 | H72 | sing | 1.10Å | 1.11Å | |
| N2 | C14 | sing | 1.45Å | 1.49Å | |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| N5 | C12 | sing | 1.45Å | 1.49Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C8 | C6 | 119.1° | 120.0° |
| C2 | C8 | H8 | 120.5° | 120.0° |
| C8 | C2 | C10 | 122.0° | 120.0° |
| C8 | C2 | C11 | 120.3° | 120.0° |
| C6 | C8 | H8 | 120.4° | 120.0° |
| C8 | C6 | C5 | 118.6° | 120.0° |
| C8 | C6 | H6 | 120.6° | 120.0° |
| C10 | C2 | C11 | 117.6° | 120.0° |
| C2 | C10 | C4 | 119.0° | 120.0° |
| C2 | C10 | H10 | 120.7° | 120.0° |
| C2 | C11 | C1 | 110.2° | 109.5° |
| C2 | C11 | H111 | 111.9° | 109.5° |
| C2 | C11 | H112 | 111.9° | 109.5° |
| C4 | C10 | H10 | 120.2° | 120.0° |
| C10 | C4 | C5 | 118.7° | 120.0° |
| C10 | C4 | H4 | 120.5° | 120.0° |
| C5 | C4 | H4 | 120.9° | 120.0° |
| C4 | C5 | C6 | 122.5° | 120.0° |
| C4 | C5 | H5 | 118.8° | 120.0° |
| C6 | C5 | H5 | 118.8° | 120.0° |
| C5 | C6 | H6 | 120.8° | 120.0° |
| C1 | C11 | H111 | 111.9° | 109.5° |
| C1 | C11 | H112 | 111.9° | 109.4° |
| C11 | C1 | N18 | 110.0° | 109.2° |
| C11 | C1 | C7 | 111.0° | 109.7° |
| C11 | C1 | H1 | 107.3° | 110.0° |
| H111 | C11 | H112 | 98.5° | 109.4° |
| N18 | C1 | C7 | 107.0° | 108.2° |
| N18 | C1 | H1 | 111.3° | 110.4° |
| C1 | N18 | C21 | 119.8° | 119.3° |
| C1 | N18 | H18 | 108.5° | 120.4° |
| C7 | C1 | H1 | 110.3° | 109.4° |
| C1 | C7 | N2 | 114.1° | 111.6° |
| C1 | C7 | H71 | 110.5° | 108.7° |
| C1 | C7 | H72 | 110.5° | 108.4° |
| C21 | N18 | H18 | 108.5° | 120.4° |
| N18 | C21 | C22 | 121.1° | 122.0° |
| N18 | C21 | N3 | 124.1° | 119.3° |
| C22 | C21 | N3 | 114.5° | 118.7° |
| C21 | C22 | N23 | 119.1° | 118.6° |
| C21 | C22 | O28 | 119.2° | 121.9° |
| C21 | N3 | C25 | 124.4° | 121.2° |
| N23 | C22 | O28 | 121.7° | 119.5° |
| C22 | N23 | C24 | 125.8° | 119.2° |
| C22 | N23 | C33 | 117.9° | 119.8° |
| C24 | N23 | C33 | 116.3° | 121.0° |
| N23 | C24 | C25 | 112.7° | 120.6° |
| N23 | C24 | CL2 | 125.0° | 120.1° |
| N23 | C33 | C34 | 110.5° | 109.4° |
| N23 | C33 | H331 | 111.8° | 109.6° |
| N23 | C33 | H332 | 111.8° | 109.8° |
| C25 | C24 | CL2 | 122.0° | 119.3° |
| C24 | C25 | N3 | 123.4° | 121.6° |
| C24 | C25 | H25 | 118.8° | 119.2° |
| N3 | C25 | H25 | 117.8° | 119.3° |
| C34 | C33 | H331 | 111.8° | 109.3° |
| C34 | C33 | H332 | 111.8° | 109.6° |
| C33 | C34 | N37 | 114.1° | 119.4° |
| C33 | C34 | O38 | 120.7° | 120.2° |
| H331 | C33 | H332 | 98.6° | 109.2° |
| N37 | C34 | O38 | 125.2° | 120.4° |
| C34 | N37 | C39 | 119.8° | 114.6° |
| C34 | N37 | H37 | 115.4° | 122.7° |
| C39 | N37 | H37 | 124.9° | 122.7° |
| N37 | C39 | C40 | 113.6° | 109.1° |
| N37 | C39 | H391 | 110.7° | 110.1° |
| N37 | C39 | H392 | 110.7° | 109.4° |
| C40 | C39 | H391 | 110.7° | 110.3° |
| C40 | C39 | H392 | 110.7° | 109.1° |
| C39 | C40 | C43 | 120.7° | 121.1° |
| C39 | C40 | C15 | 118.7° | 119.0° |
| H391 | C39 | H392 | 99.6° | 108.8° |
| C43 | C40 | C15 | 120.6° | 119.9° |
| C40 | C43 | C44 | 121.3° | 119.9° |
| C40 | C43 | C9 | 120.9° | 121.0° |
| C40 | C15 | C50 | 118.2° | 120.2° |
| C40 | C15 | H15 | 121.3° | 119.7° |
| C44 | C43 | C9 | 117.8° | 119.1° |
| C43 | C44 | C45 | 117.9° | 120.2° |
| C43 | C44 | H44 | 120.9° | 119.9° |
| C43 | C9 | C3 | 109.7° | 109.5° |
| C43 | C9 | H91 | 112.2° | 109.1° |
| C43 | C9 | H92 | 112.2° | 110.4° |
| C45 | C44 | H44 | 121.2° | 119.9° |
| C44 | C45 | C50 | 121.1° | 119.9° |
| C44 | C45 | H45 | 119.4° | 120.1° |
| C50 | C45 | H45 | 119.5° | 120.0° |
| C45 | C50 | C15 | 120.9° | 119.9° |
| C45 | C50 | H50 | 119.7° | 120.0° |
| C50 | C15 | H15 | 120.6° | 120.1° |
| C15 | C50 | H50 | 119.4° | 120.1° |
| C3 | C9 | H91 | 112.1° | 109.0° |
| C3 | C9 | H92 | 112.1° | 109.6° |
| C9 | C3 | N5 | 108.7° | 110.1° |
| C9 | C3 | H31 | 112.5° | 109.0° |
| C9 | C3 | H32 | 112.5° | 108.9° |
| H91 | C9 | H92 | 98.2° | 109.3° |
| N5 | C3 | H31 | 112.5° | 110.2° |
| N5 | C3 | H32 | 112.5° | 110.0° |
| C3 | N5 | C12 | 113.6° | 110.6° |
| C3 | N5 | HN5 | 110.7° | 116.1° |
| H31 | C3 | H32 | 97.9° | 108.6° |
| N2 | C7 | H71 | 110.5° | 109.8° |
| N2 | C7 | H72 | 110.5° | 110.3° |
| C7 | N2 | C14 | 128.8° | 111.2° |
| C7 | N2 | H2 | 105.5° | 117.2° |
| H71 | C7 | H72 | 99.7° | 108.0° |
| C14 | N2 | H2 | 105.4° | 115.6° |
| N2 | C14 | C13 | 112.9° | 109.8° |
| N2 | C14 | H141 | 111.0° | 109.9° |
| N2 | C14 | H142 | 111.0° | 110.6° |
| C12 | N5 | HN5 | 110.7° | 116.2° |
| N5 | C12 | C13 | 111.9° | 110.0° |
| N5 | C12 | H121 | 111.3° | 109.9° |
| N5 | C12 | H122 | 111.3° | 110.1° |
| C13 | C12 | H121 | 111.3° | 109.1° |
| C13 | C12 | H122 | 111.3° | 109.1° |
| C12 | C13 | C14 | 111.4° | 109.4° |
| C12 | C13 | H131 | 111.5° | 109.5° |
| C12 | C13 | H132 | 111.5° | 109.4° |
| H121 | C12 | H122 | 99.1° | 108.5° |
| C14 | C13 | H131 | 111.5° | 109.6° |
| C14 | C13 | H132 | 111.5° | 109.3° |
| C13 | C14 | H141 | 111.0° | 108.9° |
| C13 | C14 | H142 | 110.9° | 109.2° |
| H131 | C13 | H132 | 98.9° | 109.6° |
| H141 | C14 | H142 | 99.4° | 108.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C8 | C6 | H8 | 180.0° | 180.0° |
| C8 | C2 | C10 | C11 | 175.6° | 179.8° |
| C8 | C2 | C10 | C4 | 3.8° | 0.5° |
| C8 | C2 | C10 | H10 | 176.2° | 180.0° |
| C2 | C8 | C6 | C5 | 0.7° | 0.0° |
| C2 | C8 | C6 | H6 | 179.3° | 180.0° |
| C8 | C2 | C11 | C1 | 106.9° | 95.7° |
| C8 | C2 | C11 | H111 | 18.3° | 24.4° |
| C8 | C2 | C11 | H112 | 127.8° | 144.4° |
| C6 | C8 | C2 | C10 | 3.3° | 0.2° |
| C6 | C8 | C2 | C11 | 172.2° | 180.0° |
| C8 | C6 | C5 | C4 | 1.3° | 0.1° |
| C8 | C6 | C5 | H6 | 180.0° | 179.9° |
| C8 | C6 | C5 | H5 | 178.7° | 179.9° |
| H8 | C8 | C2 | C10 | 176.8° | 179.8° |
| H8 | C8 | C2 | C11 | 7.7° | 0.0° |
| H8 | C8 | C6 | C5 | 179.3° | 180.0° |
| H8 | C8 | C6 | H6 | 0.7° | 0.1° |
| C2 | C10 | C4 | H10 | 180.0° | 179.6° |
| C2 | C10 | C4 | C5 | 1.8° | 0.4° |
| C2 | C10 | C4 | H4 | 178.2° | 179.8° |
| C10 | C2 | C11 | C1 | 68.8° | 84.6° |
| C10 | C2 | C11 | H111 | 166.0° | 155.4° |
| C10 | C2 | C11 | H112 | 56.5° | 35.4° |
| C11 | C2 | C10 | C4 | 171.8° | 179.8° |
| C11 | C2 | C10 | H10 | 8.2° | 0.2° |
| C2 | C11 | C1 | H111 | 125.2° | 120.1° |
| C2 | C11 | C1 | H112 | 125.2° | 120.0° |
| C2 | C11 | H111 | H112 | 117.8° | 120.0° |
| C2 | C11 | C1 | N18 | 70.1° | 56.6° |
| C2 | C11 | C1 | C7 | 171.8° | 61.8° |
| C2 | C11 | C1 | H1 | 51.2° | 177.9° |
| C10 | C4 | C5 | H4 | 180.0° | 179.8° |
| C10 | C4 | C5 | C6 | 0.7° | 0.2° |
| C10 | C4 | C5 | H5 | 179.3° | 179.8° |
| H10 | C10 | C4 | C5 | 178.3° | 180.0° |
| H10 | C10 | C4 | H4 | 1.8° | 0.2° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 178.7° | 180.0° |
| H4 | C4 | C5 | C6 | 179.3° | 180.0° |
| H4 | C4 | C5 | H5 | 0.7° | 0.0° |
| H5 | C5 | C6 | H6 | 1.3° | 0.0° |
| C1 | C11 | H111 | H112 | 117.9° | 119.9° |
| C11 | C1 | N18 | C7 | 120.6° | 119.3° |
| C11 | C1 | N18 | H1 | 118.8° | 121.1° |
| C11 | C1 | C7 | H1 | 118.8° | 120.7° |
| C11 | C1 | N18 | C21 | 103.8° | 67.6° |
| C11 | C1 | N18 | H18 | 21.5° | 112.0° |
| C11 | C1 | C7 | N2 | 168.8° | 52.1° |
| C11 | C1 | C7 | H71 | 66.0° | 69.1° |
| C11 | C1 | C7 | H72 | 43.5° | 173.7° |
| H111 | C11 | C1 | N18 | 55.2° | 176.6° |
| H111 | C11 | C1 | C7 | 63.0° | 58.3° |
| H111 | C11 | C1 | H1 | 176.4° | 62.1° |
| H112 | C11 | C1 | N18 | 164.7° | 63.4° |
| H112 | C11 | C1 | C7 | 46.5° | 178.2° |
| H112 | C11 | C1 | H1 | 74.1° | 57.9° |
| N18 | C1 | C7 | H1 | 121.2° | 120.3° |
| C1 | N18 | C21 | H18 | 125.3° | 179.6° |
| C1 | N18 | C21 | C22 | 171.6° | 24.5° |
| C1 | N18 | C21 | N3 | 2.4° | 157.3° |
| N18 | C1 | C7 | N2 | 71.3° | 171.0° |
| N18 | C1 | C7 | H71 | 54.0° | 49.9° |
| N18 | C1 | C7 | H72 | 163.4° | 67.3° |
| C7 | C1 | N18 | C21 | 135.6° | 173.1° |
| C7 | C1 | N18 | H18 | 99.2° | 7.3° |
| C1 | C7 | N2 | H71 | 125.3° | 120.5° |
| C1 | C7 | N2 | H72 | 125.3° | 120.6° |
| C1 | C7 | H71 | H72 | 116.4° | 117.4° |
| C1 | C7 | N2 | C14 | 42.1° | 68.5° |
| C1 | C7 | N2 | H2 | 167.3° | 67.6° |
| H1 | C1 | N18 | C21 | 15.0° | 53.5° |
| H1 | C1 | N18 | H18 | 140.3° | 127.0° |
| H1 | C1 | C7 | N2 | 49.9° | 68.7° |
| H1 | C1 | C7 | H71 | 175.2° | 170.1° |
| H1 | C1 | C7 | H72 | 75.3° | 53.0° |
| N18 | C21 | C22 | N3 | 174.5° | 178.2° |
| N18 | C21 | C22 | N23 | 176.2° | 176.5° |
| N18 | C21 | C22 | O28 | 3.3° | 5.2° |
| N18 | C21 | N3 | C25 | 174.7° | 177.7° |
| H18 | N18 | C21 | C22 | 46.3° | 155.9° |
| H18 | N18 | C21 | N3 | 127.6° | 22.3° |
| C21 | C22 | N23 | O28 | 179.5° | 178.3° |
| C21 | C22 | N23 | C24 | 2.4° | 3.7° |
| C21 | C22 | N23 | C33 | 176.2° | 177.4° |
| C22 | C21 | N3 | C25 | 0.4° | 4.1° |
| N3 | C21 | C22 | N23 | 1.8° | 5.3° |
| N3 | C21 | C22 | O28 | 177.8° | 173.0° |
| C21 | N3 | C25 | C24 | 0.5° | 1.4° |
| C21 | N3 | C25 | H25 | 179.5° | 178.8° |
| C22 | N23 | C24 | C33 | 178.6° | 178.9° |
| C22 | N23 | C24 | C25 | 1.4° | 1.1° |
| C22 | N23 | C24 | CL2 | 176.1° | 179.1° |
| C22 | N23 | C33 | C34 | 49.9° | 55.0° |
| C22 | N23 | C33 | H331 | 175.2° | 174.8° |
| C22 | N23 | C33 | H332 | 75.3° | 65.3° |
| O28 | C22 | N23 | C24 | 177.2° | 174.6° |
| O28 | C22 | N23 | C33 | 4.3° | 4.3° |
| N23 | C24 | C25 | CL2 | 174.9° | 179.8° |
| N23 | C24 | C25 | N3 | 0.1° | 0.2° |
| N23 | C24 | C25 | H25 | 179.9° | 179.5° |
| C24 | N23 | C33 | C34 | 128.8° | 126.2° |
| C24 | N23 | C33 | H331 | 3.5° | 6.4° |
| C24 | N23 | C33 | H332 | 106.0° | 113.5° |
| C33 | N23 | C24 | C25 | 177.2° | 180.0° |
| C33 | N23 | C24 | CL2 | 2.5° | 0.3° |
| N23 | C33 | C34 | H331 | 125.2° | 120.0° |
| N23 | C33 | C34 | H332 | 125.3° | 120.4° |
| N23 | C33 | H331 | H332 | 117.7° | 120.3° |
| N23 | C33 | C34 | N37 | 142.7° | 132.4° |
| N23 | C33 | C34 | O38 | 39.1° | 47.5° |
| C24 | C25 | N3 | H25 | 180.0° | 179.7° |
| CL2 | C24 | C25 | N3 | 174.8° | 179.6° |
| CL2 | C24 | C25 | H25 | 5.2° | 0.7° |
| C34 | C33 | H331 | H332 | 117.8° | 119.9° |
| C33 | C34 | N37 | O38 | 178.1° | 179.8° |
| C33 | C34 | N37 | C39 | 174.7° | 178.9° |
| C33 | C34 | N37 | H37 | 5.3° | 0.5° |
| H331 | C33 | C34 | N37 | 92.0° | 107.6° |
| H331 | C33 | C34 | O38 | 86.2° | 72.6° |
| H332 | C33 | C34 | N37 | 17.4° | 12.0° |
| H332 | C33 | C34 | O38 | 164.3° | 167.8° |
| C34 | N37 | C39 | H37 | 180.0° | 179.4° |
| C34 | N37 | C39 | C40 | 114.2° | 172.5° |
| C34 | N37 | C39 | H391 | 11.1° | 66.3° |
| C34 | N37 | C39 | H392 | 120.6° | 53.2° |
| O38 | C34 | N37 | C39 | 7.2° | 1.3° |
| O38 | C34 | N37 | H37 | 172.9° | 179.4° |
| N37 | C39 | C40 | H391 | 125.2° | 121.1° |
| N37 | C39 | C40 | H392 | 125.3° | 119.5° |
| N37 | C39 | H391 | H392 | 116.6° | 119.9° |
| N37 | C39 | C40 | C43 | 118.4° | 88.6° |
| N37 | C39 | C40 | C15 | 63.0° | 91.3° |
| H37 | N37 | C39 | C40 | 65.8° | 6.9° |
| H37 | N37 | C39 | H391 | 169.0° | 114.4° |
| H37 | N37 | C39 | H392 | 59.5° | 126.1° |
| C40 | C39 | H391 | H392 | 116.5° | 119.6° |
| C39 | C40 | C43 | C15 | 178.5° | 179.9° |
| C39 | C40 | C43 | C44 | 178.9° | 180.0° |
| C39 | C40 | C43 | C9 | 0.3° | 0.1° |
| C39 | C40 | C15 | C50 | 178.2° | 179.9° |
| C39 | C40 | C15 | H15 | 1.8° | 0.0° |
| H391 | C39 | C40 | C43 | 6.8° | 32.5° |
| H391 | C39 | C40 | C15 | 171.8° | 147.6° |
| H392 | C39 | C40 | C43 | 116.3° | 152.0° |
| H392 | C39 | C40 | C15 | 62.3° | 28.1° |
| C40 | C43 | C44 | C9 | 179.2° | 179.9° |
| C40 | C43 | C44 | C45 | 1.0° | 0.0° |
| C40 | C43 | C44 | H44 | 179.0° | 179.9° |
| C43 | C40 | C15 | C50 | 0.4° | 0.2° |
| C43 | C40 | C15 | H15 | 179.6° | 179.9° |
| C40 | C43 | C9 | C3 | 81.0° | 127.3° |
| C40 | C43 | C9 | H91 | 44.3° | 113.5° |
| C40 | C43 | C9 | H92 | 153.7° | 6.6° |
| C15 | C40 | C43 | C44 | 0.4° | 0.1° |
| C15 | C40 | C43 | C9 | 178.9° | 179.8° |
| C40 | C15 | C50 | C45 | 0.5° | 0.2° |
| C40 | C15 | C50 | H15 | 180.0° | 180.0° |
| C40 | C15 | C50 | H50 | 179.5° | 179.9° |
| C43 | C44 | C45 | H44 | 180.0° | 179.9° |
| C43 | C44 | C45 | C50 | 0.8° | 0.0° |
| C43 | C44 | C45 | H45 | 179.2° | 179.9° |
| C44 | C43 | C9 | C3 | 99.8° | 52.8° |
| C44 | C43 | C9 | H91 | 135.0° | 66.4° |
| C44 | C43 | C9 | H92 | 25.5° | 173.5° |
| C9 | C43 | C44 | C45 | 178.3° | 179.9° |
| C9 | C43 | C44 | H44 | 1.7° | 0.0° |
| C43 | C9 | C3 | H91 | 125.3° | 119.3° |
| C43 | C9 | C3 | H92 | 125.3° | 121.2° |
| C43 | C9 | H91 | H92 | 118.1° | 120.8° |
| C43 | C9 | C3 | N5 | 177.4° | 149.8° |
| C43 | C9 | C3 | H31 | 57.3° | 28.9° |
| C43 | C9 | C3 | H32 | 52.2° | 89.5° |
| C44 | C45 | C50 | H45 | 180.0° | 180.0° |
| C44 | C45 | C50 | C15 | 0.1° | 0.1° |
| C44 | C45 | C50 | H50 | 179.9° | 180.0° |
| H44 | C44 | C45 | C50 | 179.2° | 179.9° |
| H44 | C44 | C45 | H45 | 0.8° | 0.0° |
| C45 | C50 | C15 | H50 | 180.0° | 180.0° |
| C45 | C50 | C15 | H15 | 179.5° | 179.9° |
| H45 | C45 | C50 | C15 | 179.9° | 179.9° |
| H45 | C45 | C50 | H50 | 0.1° | 0.1° |
| H15 | C15 | C50 | H50 | 0.5° | 0.1° |
| C3 | C9 | H91 | H92 | 118.0° | 119.7° |
| C9 | C3 | N5 | H31 | 125.3° | 120.2° |
| C9 | C3 | N5 | H32 | 125.3° | 120.0° |
| C9 | C3 | H31 | H32 | 118.4° | 118.6° |
| C9 | C3 | N5 | C12 | 167.4° | 64.5° |
| C9 | C3 | N5 | HN5 | 42.1° | 70.7° |
| H91 | C9 | C3 | N5 | 52.1° | 90.9° |
| H91 | C9 | C3 | H31 | 177.4° | 148.1° |
| H91 | C9 | C3 | H32 | 73.1° | 29.8° |
| H92 | C9 | C3 | N5 | 57.3° | 28.6° |
| H92 | C9 | C3 | H31 | 68.0° | 92.3° |
| H92 | C9 | C3 | H32 | 177.5° | 149.3° |
| N5 | C3 | H31 | H32 | 118.4° | 120.5° |
| C3 | N5 | C12 | HN5 | 125.3° | 135.2° |
| C3 | N5 | C12 | C13 | 71.6° | 172.2° |
| C3 | N5 | C12 | H121 | 53.6° | 67.6° |
| C3 | N5 | C12 | H122 | 163.1° | 52.0° |
| H31 | C3 | N5 | C12 | 67.4° | 175.3° |
| H31 | C3 | N5 | HN5 | 167.4° | 49.5° |
| H32 | C3 | N5 | C12 | 42.1° | 55.6° |
| H32 | C3 | N5 | HN5 | 83.2° | 169.2° |
| N2 | C7 | H71 | H72 | 116.4° | 120.3° |
| C7 | N2 | C14 | H2 | 125.2° | 136.8° |
| C7 | N2 | C14 | C13 | 71.5° | 143.3° |
| C7 | N2 | C14 | H141 | 163.3° | 97.0° |
| C7 | N2 | C14 | H142 | 53.8° | 22.7° |
| H71 | C7 | N2 | C14 | 83.2° | 171.0° |
| H71 | C7 | N2 | H2 | 42.1° | 53.0° |
| H72 | C7 | N2 | C14 | 167.4° | 52.1° |
| H72 | C7 | N2 | H2 | 67.4° | 171.9° |
| N2 | C14 | C13 | C12 | 177.6° | 151.6° |
| N2 | C14 | C13 | H141 | 125.3° | 120.3° |
| N2 | C14 | C13 | H142 | 125.3° | 121.4° |
| N2 | C14 | C13 | H131 | 57.1° | 31.5° |
| N2 | C14 | C13 | H132 | 52.4° | 88.6° |
| N2 | C14 | H141 | H142 | 116.8° | 121.0° |
| H2 | N2 | C14 | C13 | 53.8° | 6.5° |
| H2 | N2 | C14 | H141 | 71.5° | 126.2° |
| H2 | N2 | C14 | H142 | 179.0° | 114.1° |
| N5 | C12 | C13 | H121 | 125.2° | 120.7° |
| N5 | C12 | C13 | H122 | 125.3° | 120.9° |
| N5 | C12 | H121 | H122 | 117.2° | 120.5° |
| N5 | C12 | C13 | C14 | 177.3° | 150.7° |
| N5 | C12 | C13 | H131 | 52.1° | 30.6° |
| N5 | C12 | C13 | H132 | 57.4° | 89.6° |
| HN5 | N5 | C12 | C13 | 163.1° | 37.0° |
| HN5 | N5 | C12 | H121 | 71.6° | 157.3° |
| HN5 | N5 | C12 | H122 | 37.8° | 83.2° |
| C13 | C12 | H121 | H122 | 117.2° | 118.7° |
| C12 | C13 | C14 | H131 | 125.2° | 120.1° |
| C12 | C13 | C14 | H132 | 125.3° | 119.8° |
| C12 | C13 | H131 | H132 | 117.4° | 120.1° |
| C12 | C13 | C14 | H141 | 57.1° | 88.1° |
| C12 | C13 | C14 | H142 | 52.4° | 30.2° |
| H121 | C12 | C13 | C14 | 57.4° | 88.6° |
| H121 | C12 | C13 | H131 | 177.4° | 151.3° |
| H121 | C12 | C13 | H132 | 67.9° | 31.1° |
| H122 | C12 | C13 | C14 | 52.1° | 29.8° |
| H122 | C12 | C13 | H131 | 73.2° | 90.3° |
| H122 | C12 | C13 | H132 | 177.3° | 149.5° |
| C14 | C13 | H131 | H132 | 117.4° | 119.9° |
| C13 | C14 | H141 | H142 | 116.8° | 118.7° |
| H131 | C13 | C14 | H141 | 68.2° | 151.9° |
| H131 | C13 | C14 | H142 | 177.6° | 89.9° |
| H132 | C13 | C14 | H141 | 177.7° | 31.7° |
| H132 | C13 | C14 | H142 | 72.9° | 150.0° |
