62G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL25 | C24 | sing | 1.74Å | 1.73Å | |
| C26 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| N19 | C18 | sing | 1.35Å | 1.36Å | |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C13 | sing | 1.48Å | 1.47Å | |
| O20 | C18 | doub | 1.21Å | 1.22Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| N14 | C13 | doub | 1.29Å | 1.30Å | |
| N14 | C15 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.47Å | 1.48Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C5 | sing | 1.51Å | 1.46Å | |
| C11 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | O4 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| O4 | N3 | sing | 1.21Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C2 | sing | 1.41Å | 1.42Å | Aromatic |
| N3 | C2 | doub | 1.30Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| N19 | H15 | sing | 0.97Å | 1.00Å | |
| N19 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL25 | C24 | C26 | 121.3° | 119.9° |
| CL25 | C24 | C23 | 117.7° | 119.9° |
| C24 | C26 | C27 | 119.1° | 120.1° |
| C26 | C24 | C23 | 121.0° | 120.2° |
| C24 | C26 | H7 | 120.4° | 119.9° |
| C26 | C27 | C21 | 119.0° | 119.9° |
| C27 | C26 | H7 | 120.5° | 120.0° |
| C26 | C27 | H10 | 120.5° | 120.0° |
| C24 | C23 | C22 | 119.9° | 120.1° |
| C24 | C23 | H11 | 120.0° | 119.9° |
| C27 | C21 | C22 | 121.8° | 119.7° |
| C27 | C21 | C13 | 120.4° | 120.1° |
| C21 | C27 | H10 | 120.5° | 120.0° |
| C23 | C22 | C21 | 119.1° | 119.9° |
| C23 | C22 | H6 | 120.4° | 120.0° |
| C22 | C23 | H11 | 120.0° | 120.0° |
| N19 | C18 | O20 | 123.1° | 120.0° |
| N19 | C18 | C17 | 112.7° | 120.0° |
| C18 | N19 | H15 | 120.0° | 120.1° |
| C18 | N19 | H16 | 120.0° | 119.9° |
| C22 | C21 | C13 | 117.8° | 120.1° |
| C21 | C22 | H6 | 120.5° | 120.0° |
| C21 | C13 | N14 | 117.0° | 115.6° |
| C21 | C13 | C12 | 114.4° | 115.6° |
| O20 | C18 | C17 | 124.1° | 120.0° |
| C18 | C17 | C15 | 107.4° | 109.5° |
| C18 | C17 | H4 | 110.0° | 109.5° |
| C18 | C17 | H5 | 110.0° | 109.5° |
| C13 | N14 | C15 | 117.7° | 122.6° |
| N14 | C13 | C12 | 128.6° | 128.7° |
| N14 | C15 | C17 | 109.9° | 109.9° |
| N14 | C15 | C5 | 103.6° | 107.9° |
| N14 | C15 | H3 | 110.7° | 109.7° |
| C13 | C12 | C11 | 115.6° | 118.6° |
| C13 | C12 | C7 | 122.7° | 122.6° |
| C17 | C15 | C5 | 112.0° | 109.8° |
| C17 | C15 | H3 | 109.8° | 109.8° |
| C15 | C17 | H4 | 110.0° | 109.5° |
| C15 | C17 | H5 | 110.0° | 109.5° |
| C15 | C5 | O4 | 118.9° | 128.8° |
| C15 | C5 | C6 | 130.2° | 124.8° |
| C5 | C15 | H3 | 110.7° | 109.8° |
| C12 | C11 | C10 | 119.3° | 120.5° |
| C11 | C12 | C7 | 121.3° | 118.8° |
| C12 | C11 | H9 | 120.4° | 119.7° |
| C11 | C10 | C9 | 119.8° | 120.4° |
| C11 | C10 | H2 | 120.1° | 119.8° |
| C10 | C11 | H9 | 120.3° | 119.7° |
| C12 | C7 | C6 | 120.5° | 120.9° |
| C12 | C7 | C8 | 118.6° | 119.8° |
| O4 | C5 | C6 | 110.8° | 106.4° |
| C5 | O4 | N3 | 108.2° | 111.5° |
| C5 | C6 | C7 | 119.8° | 125.8° |
| C5 | C6 | C2 | 103.6° | 104.3° |
| O4 | N3 | C2 | 106.6° | 112.1° |
| C10 | C9 | C8 | 120.5° | 120.0° |
| C9 | C10 | H2 | 120.1° | 119.8° |
| C10 | C9 | H8 | 119.7° | 120.0° |
| C6 | C7 | C8 | 120.7° | 119.3° |
| C7 | C6 | C2 | 136.3° | 129.8° |
| C7 | C8 | C9 | 120.2° | 120.4° |
| C7 | C8 | H1 | 119.9° | 119.8° |
| C6 | C2 | N3 | 110.7° | 105.7° |
| C6 | C2 | C1 | 130.2° | 127.1° |
| N3 | C2 | C1 | 119.1° | 127.2° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C2 | C1 | H14 | 109.4° | 109.4° |
| C9 | C8 | H1 | 119.9° | 119.8° |
| C8 | C9 | H8 | 119.7° | 120.0° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.4° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | N19 | H16 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL25 | C24 | C26 | C23 | 179.8° | 179.5° |
| CL25 | C24 | C26 | C27 | 179.5° | 179.7° |
| CL25 | C24 | C23 | C22 | 179.7° | 180.0° |
| CL25 | C24 | C26 | H7 | 0.5° | 0.6° |
| CL25 | C24 | C23 | H11 | 0.3° | 0.5° |
| C24 | C26 | C27 | H7 | 180.0° | 179.2° |
| C24 | C26 | C27 | C21 | 0.7° | 0.5° |
| C26 | C24 | C23 | C22 | 0.6° | 0.5° |
| C24 | C26 | C27 | H10 | 179.3° | 179.5° |
| C26 | C24 | C23 | H11 | 179.4° | 180.0° |
| C27 | C26 | C24 | C23 | 0.2° | 0.8° |
| C26 | C27 | C21 | H10 | 180.0° | 180.0° |
| C26 | C27 | C21 | C22 | 0.5° | 0.1° |
| C26 | C27 | C21 | C13 | 178.7° | 179.7° |
| C24 | C23 | C22 | H11 | 180.0° | 179.5° |
| C24 | C23 | C22 | C21 | 0.8° | 0.1° |
| C24 | C23 | C22 | H6 | 179.2° | 180.0° |
| C23 | C24 | C26 | H7 | 179.8° | 180.0° |
| C27 | C21 | C22 | C23 | 0.3° | 0.4° |
| C27 | C21 | C22 | C13 | 179.2° | 179.6° |
| C27 | C21 | C13 | N14 | 21.9° | 154.9° |
| C27 | C21 | C13 | C12 | 156.9° | 25.1° |
| C27 | C21 | C22 | H6 | 179.7° | 179.7° |
| C21 | C27 | C26 | H7 | 179.3° | 179.7° |
| C23 | C22 | C21 | H6 | 180.0° | 179.9° |
| C23 | C22 | C21 | C13 | 179.5° | 180.0° |
| N19 | C18 | O20 | C17 | 177.9° | 180.0° |
| N19 | C18 | C17 | C15 | 155.4° | 180.0° |
| N19 | C18 | C17 | H4 | 85.0° | 59.9° |
| N19 | C18 | C17 | H5 | 35.7° | 60.0° |
| C18 | N19 | H15 | H16 | 180.0° | 180.0° |
| C22 | C21 | C13 | N14 | 157.3° | 24.8° |
| C22 | C21 | C13 | C12 | 23.9° | 155.2° |
| C22 | C21 | C27 | H10 | 179.6° | 180.0° |
| C21 | C22 | C23 | H11 | 179.1° | 179.4° |
| C21 | C13 | N14 | C12 | 178.5° | 180.0° |
| C21 | C13 | N14 | C15 | 178.6° | 178.9° |
| C21 | C13 | C12 | C11 | 41.1° | 41.3° |
| C21 | C13 | C12 | C7 | 132.2° | 138.1° |
| C13 | C21 | C22 | H6 | 0.5° | 0.1° |
| C13 | C21 | C27 | H10 | 1.3° | 0.3° |
| O20 | C18 | C17 | C15 | 26.6° | 0.0° |
| O20 | C18 | C17 | H4 | 93.1° | 120.0° |
| O20 | C18 | C17 | H5 | 146.2° | 120.0° |
| O20 | C18 | N19 | H15 | 0.0° | 180.0° |
| O20 | C18 | N19 | H16 | 180.0° | 0.0° |
| C18 | C17 | C15 | N14 | 53.8° | 66.5° |
| C18 | C17 | C15 | H4 | 119.7° | 120.0° |
| C18 | C17 | C15 | H5 | 119.7° | 120.0° |
| C18 | C17 | C15 | C5 | 168.4° | 175.0° |
| C18 | C17 | C15 | H3 | 68.2° | 54.3° |
| C18 | C17 | H4 | H5 | 121.0° | 120.0° |
| C17 | C18 | N19 | H15 | 178.1° | 0.0° |
| C17 | C18 | N19 | H16 | 1.9° | 180.0° |
| C13 | N14 | C15 | C17 | 175.2° | 57.5° |
| C13 | N14 | C15 | C5 | 64.9° | 62.2° |
| N14 | C13 | C12 | C11 | 137.4° | 138.7° |
| N14 | C13 | C12 | C7 | 49.2° | 41.9° |
| C13 | N14 | C15 | H3 | 53.7° | 178.2° |
| C15 | N14 | C13 | C12 | 0.1° | 1.2° |
| N14 | C15 | C17 | C5 | 114.6° | 118.5° |
| N14 | C15 | C17 | H3 | 122.1° | 120.7° |
| N14 | C15 | C5 | H3 | 118.7° | 119.6° |
| N14 | C15 | C5 | O4 | 109.2° | 119.9° |
| N14 | C15 | C5 | C6 | 69.2° | 58.3° |
| N14 | C15 | C17 | H4 | 173.5° | 53.5° |
| N14 | C15 | C17 | H5 | 65.9° | 173.5° |
| C13 | C12 | C11 | C7 | 173.5° | 179.4° |
| C13 | C12 | C11 | C10 | 177.8° | 177.0° |
| C13 | C12 | C7 | C6 | 8.9° | 4.9° |
| C13 | C12 | C7 | C8 | 176.8° | 175.8° |
| C13 | C12 | C11 | H9 | 2.1° | 2.9° |
| C17 | C15 | C5 | H3 | 122.9° | 120.7° |
| C17 | C15 | C5 | O4 | 9.2° | 120.3° |
| C17 | C15 | C5 | C6 | 172.4° | 61.4° |
| C15 | C17 | H4 | H5 | 121.0° | 120.0° |
| C15 | C5 | O4 | C6 | 178.7° | 178.5° |
| C15 | C5 | O4 | N3 | 176.0° | 177.1° |
| C15 | C5 | C6 | C7 | 3.0° | 4.1° |
| C15 | C5 | C6 | C2 | 177.6° | 177.2° |
| C5 | C15 | C17 | H4 | 71.9° | 65.0° |
| C5 | C15 | C17 | H5 | 48.7° | 55.0° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 2.5° | 0.2° |
| C11 | C12 | C7 | C6 | 178.1° | 175.8° |
| C11 | C12 | C7 | C8 | 3.8° | 3.6° |
| C12 | C11 | C10 | H2 | 177.5° | 179.8° |
| C10 | C11 | C12 | C7 | 4.4° | 2.4° |
| C11 | C10 | C9 | H2 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 1.5° |
| C11 | C10 | C9 | H8 | 179.8° | 178.6° |
| C12 | C7 | C6 | C5 | 31.8° | 35.7° |
| C12 | C7 | C6 | C8 | 174.1° | 179.4° |
| C12 | C7 | C6 | C2 | 140.5° | 145.9° |
| C12 | C7 | C8 | C9 | 1.5° | 2.4° |
| C12 | C7 | C8 | H1 | 178.5° | 177.6° |
| C7 | C12 | C11 | H9 | 175.6° | 177.7° |
| O4 | C5 | C6 | C7 | 175.5° | 177.3° |
| O4 | C5 | C6 | C2 | 0.9° | 1.4° |
| C5 | O4 | N3 | C2 | 3.3° | 0.9° |
| O4 | C5 | C15 | H3 | 132.1° | 0.4° |
| C6 | C5 | O4 | N3 | 2.7° | 1.5° |
| C5 | C6 | C7 | C2 | 172.3° | 178.4° |
| C5 | C6 | C7 | C8 | 142.3° | 143.6° |
| C5 | C6 | C2 | N3 | 1.2° | 0.9° |
| C5 | C6 | C2 | C1 | 177.7° | 179.1° |
| C6 | C5 | C15 | H3 | 49.5° | 177.9° |
| O4 | N3 | C2 | C6 | 2.8° | 0.1° |
| O4 | N3 | C2 | C1 | 179.7° | 179.9° |
| C10 | C9 | C8 | C7 | 0.3° | 0.2° |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C10 | C9 | C8 | H1 | 179.7° | 179.8° |
| C9 | C10 | C11 | H9 | 177.5° | 179.7° |
| C7 | C6 | C2 | N3 | 171.9° | 177.7° |
| C7 | C6 | C2 | C1 | 4.5° | 2.3° |
| C6 | C7 | C8 | C9 | 175.7° | 177.0° |
| C6 | C7 | C8 | H1 | 4.3° | 3.0° |
| C8 | C7 | C6 | C2 | 45.4° | 34.7° |
| C7 | C8 | C9 | H1 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 179.7° | 179.8° |
| C6 | C2 | N3 | C1 | 176.9° | 180.0° |
| C6 | C2 | C1 | H12 | 176.2° | 90.0° |
| C6 | C2 | C1 | H13 | 56.2° | 30.0° |
| C6 | C2 | C1 | H14 | 63.9° | 150.0° |
| N3 | C2 | C1 | H12 | 0.0° | 90.0° |
| N3 | C2 | C1 | H13 | 120.0° | 150.0° |
| N3 | C2 | C1 | H14 | 120.0° | 30.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 119.9° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C8 | C9 | C10 | H2 | 179.8° | 178.5° |
| H1 | C8 | C9 | H8 | 0.3° | 0.2° |
| H2 | C10 | C9 | H8 | 0.2° | 1.4° |
| H2 | C10 | C11 | H9 | 2.5° | 0.2° |
| H3 | C15 | C17 | H4 | 51.4° | 174.3° |
| H3 | C15 | C17 | H5 | 172.1° | 65.8° |
| H6 | C22 | C23 | H11 | 0.9° | 0.5° |
| H7 | C26 | C27 | H10 | 0.7° | 0.3° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
