A1CMX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.41Å | |
| N3 | C4 | sing | 1.46Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C7 | sing | 1.53Å | 1.52Å | |
| N3 | C8 | sing | 1.34Å | 1.41Å | |
| C8 | C9 | sing | 1.48Å | 1.48Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.51Å | |
| C12 | O13 | sing | 1.35Å | 1.26Å | |
| C12 | O14 | doub | 1.21Å | 1.25Å | |
| C11 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | O18 | doub | 1.22Å | 1.21Å | |
| C17 | C2 | sing | 1.48Å | 1.49Å | |
| C17 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C7 | H7C | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C6 | H6C | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5C | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| O13 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | N3 | 126.5° | 125.7° |
| O1 | C2 | C17 | 127.4° | 125.7° |
| C2 | N3 | C4 | 127.3° | 124.4° |
| C2 | N3 | C8 | 110.9° | 111.1° |
| N3 | C2 | C17 | 106.1° | 108.5° |
| N3 | C4 | C5 | 111.9° | 109.5° |
| N3 | C4 | C6 | 110.4° | 109.5° |
| N3 | C4 | C7 | 108.1° | 109.5° |
| C4 | N3 | C8 | 121.4° | 124.5° |
| C5 | C4 | C6 | 107.8° | 109.5° |
| C5 | C4 | C7 | 109.4° | 109.5° |
| C4 | C5 | H5A | 109.5° | 109.5° |
| C4 | C5 | H5B | 109.5° | 109.5° |
| C4 | C5 | H5C | 109.5° | 109.5° |
| C6 | C4 | C7 | 109.2° | 109.5° |
| C4 | C6 | H6A | 109.5° | 109.5° |
| C4 | C6 | H6B | 109.5° | 109.4° |
| C4 | C6 | H6C | 109.5° | 109.5° |
| C4 | C7 | H7A | 109.5° | 109.5° |
| C4 | C7 | H7B | 109.5° | 109.4° |
| C4 | C7 | H7C | 109.5° | 109.5° |
| N3 | C8 | C9 | 105.8° | 108.6° |
| N3 | C8 | O18 | 126.1° | 125.7° |
| C8 | C9 | C10 | 129.9° | 134.2° |
| C9 | C8 | O18 | 128.1° | 125.7° |
| C8 | C9 | C17 | 109.4° | 105.9° |
| C9 | C10 | C11 | 119.2° | 119.6° |
| C10 | C9 | C17 | 120.5° | 120.0° |
| C9 | C10 | H10 | 120.4° | 120.2° |
| C10 | C11 | C12 | 119.8° | 119.9° |
| C10 | C11 | C15 | 119.5° | 120.2° |
| C11 | C10 | H10 | 120.4° | 120.2° |
| C11 | C12 | O13 | 117.6° | 120.0° |
| C11 | C12 | O14 | 118.0° | 120.0° |
| C12 | C11 | C15 | 120.5° | 119.9° |
| O13 | C12 | O14 | 124.4° | 120.0° |
| C12 | O13 | H1 | 109.5° | 117.0° |
| C11 | C15 | C16 | 120.8° | 120.3° |
| C11 | C15 | H15 | 119.6° | 119.8° |
| C15 | C16 | C17 | 119.0° | 119.9° |
| C16 | C15 | H15 | 119.6° | 119.9° |
| C15 | C16 | H16 | 120.5° | 120.0° |
| C16 | C17 | C2 | 131.2° | 134.1° |
| C16 | C17 | C9 | 120.9° | 120.1° |
| C17 | C16 | H16 | 120.5° | 120.1° |
| C2 | C17 | C9 | 107.8° | 105.8° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7C | 109.4° | 109.5° |
| H7B | C7 | H7C | 109.5° | 109.5° |
| H6A | C6 | H6B | 109.4° | 109.5° |
| H6A | C6 | H6C | 109.5° | 109.5° |
| H6B | C6 | H6C | 109.5° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| H5A | C5 | H5C | 109.5° | 109.5° |
| H5B | C5 | H5C | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | N3 | C17 | 179.4° | 179.8° |
| O1 | C2 | N3 | C4 | 8.3° | 0.1° |
| O1 | C2 | N3 | C8 | 179.3° | 180.0° |
| O1 | C2 | C17 | C16 | 4.4° | 0.2° |
| O1 | C2 | C17 | C9 | 179.4° | 179.8° |
| C2 | N3 | C4 | C8 | 171.7° | 179.9° |
| C2 | N3 | C4 | C5 | 21.8° | 0.0° |
| C2 | N3 | C4 | C6 | 141.9° | 119.9° |
| C2 | N3 | C4 | C7 | 98.7° | 120.0° |
| C2 | N3 | C8 | C9 | 0.2° | 0.4° |
| N3 | C2 | C17 | C16 | 176.2° | 180.0° |
| C2 | N3 | C8 | O18 | 178.4° | 180.0° |
| N3 | C2 | C17 | C9 | 0.0° | 0.0° |
| N3 | C4 | C5 | C6 | 121.6° | 120.0° |
| N3 | C4 | C5 | C7 | 119.8° | 120.0° |
| N3 | C4 | C6 | C7 | 118.7° | 120.0° |
| C4 | N3 | C8 | C9 | 172.7° | 179.7° |
| C4 | N3 | C8 | O18 | 5.5° | 0.1° |
| C4 | N3 | C2 | C17 | 172.3° | 179.8° |
| N3 | C4 | C7 | H7A | 180.0° | 180.0° |
| N3 | C4 | C7 | H7B | 60.0° | 60.0° |
| N3 | C4 | C7 | H7C | 60.0° | 60.0° |
| N3 | C4 | C6 | H6A | 180.0° | 60.0° |
| N3 | C4 | C6 | H6B | 60.0° | 60.0° |
| N3 | C4 | C6 | H6C | 60.0° | 180.0° |
| N3 | C4 | C5 | H5A | 180.0° | 180.0° |
| N3 | C4 | C5 | H5B | 60.0° | 60.0° |
| N3 | C4 | C5 | H5C | 60.0° | 60.0° |
| C5 | C4 | C6 | C7 | 118.8° | 120.0° |
| C5 | C4 | N3 | C8 | 166.5° | 179.9° |
| C5 | C4 | C7 | H7A | 57.9° | 60.0° |
| C5 | C4 | C7 | H7B | 177.9° | 180.0° |
| C5 | C4 | C7 | H7C | 62.1° | 60.0° |
| C5 | C4 | C6 | H6A | 57.5° | 60.0° |
| C5 | C4 | C6 | H6B | 62.5° | 180.0° |
| C5 | C4 | C6 | H6C | 177.5° | 60.0° |
| C4 | C5 | H5A | H5B | 120.0° | 120.0° |
| C4 | C5 | H5A | H5C | 120.0° | 120.0° |
| C4 | C5 | H5B | H5C | 120.0° | 120.0° |
| C6 | C4 | N3 | C8 | 46.4° | 60.0° |
| C6 | C4 | C7 | H7A | 59.9° | 60.0° |
| C6 | C4 | C7 | H7B | 60.1° | 60.0° |
| C6 | C4 | C7 | H7C | 179.9° | 180.0° |
| C4 | C6 | H6A | H6B | 120.0° | 120.0° |
| C4 | C6 | H6A | H6C | 120.0° | 120.0° |
| C4 | C6 | H6B | H6C | 120.0° | 120.0° |
| C6 | C4 | C5 | H5A | 58.4° | 60.0° |
| C6 | C4 | C5 | H5B | 178.5° | 180.0° |
| C6 | C4 | C5 | H5C | 61.6° | 60.0° |
| C7 | C4 | N3 | C8 | 72.9° | 60.1° |
| C4 | C7 | H7A | H7B | 120.0° | 120.0° |
| C4 | C7 | H7A | H7C | 120.0° | 120.0° |
| C4 | C7 | H7B | H7C | 120.0° | 120.0° |
| C7 | C4 | C6 | H6A | 61.3° | 180.0° |
| C7 | C4 | C6 | H6B | 178.7° | 60.0° |
| C7 | C4 | C6 | H6C | 58.7° | 60.0° |
| C7 | C4 | C5 | H5A | 60.2° | 60.0° |
| C7 | C4 | C5 | H5B | 59.8° | 60.0° |
| C7 | C4 | C5 | H5C | 179.8° | 180.0° |
| N3 | C8 | C9 | O18 | 178.1° | 179.6° |
| N3 | C8 | C9 | C10 | 176.2° | 179.6° |
| C8 | N3 | C2 | C17 | 0.1° | 0.3° |
| N3 | C8 | C9 | C17 | 0.2° | 0.4° |
| C8 | C9 | C10 | C17 | 176.1° | 180.0° |
| C8 | C9 | C10 | C11 | 175.8° | 180.0° |
| C8 | C9 | C17 | C16 | 176.8° | 179.8° |
| C8 | C9 | C17 | C2 | 0.2° | 0.2° |
| C8 | C9 | C10 | H10 | 4.2° | 0.4° |
| C9 | C10 | C11 | H10 | 180.0° | 179.6° |
| C9 | C10 | C11 | C12 | 174.8° | 179.8° |
| C9 | C10 | C11 | C15 | 0.4° | 0.5° |
| C10 | C9 | C17 | C16 | 0.0° | 0.2° |
| C10 | C9 | C8 | O18 | 1.9° | 0.0° |
| C10 | C9 | C17 | C2 | 176.7° | 179.8° |
| C10 | C11 | C12 | C15 | 175.1° | 179.3° |
| C10 | C11 | C12 | O13 | 13.0° | 179.3° |
| C10 | C11 | C12 | O14 | 167.1° | 0.7° |
| C10 | C11 | C15 | C16 | 0.3° | 0.7° |
| C11 | C10 | C9 | C17 | 0.3° | 0.0° |
| C10 | C11 | C15 | H15 | 179.7° | 180.0° |
| C11 | C12 | O13 | O14 | 179.9° | 180.0° |
| C12 | C11 | C15 | C16 | 174.8° | 180.0° |
| C12 | C11 | C10 | H10 | 5.2° | 0.7° |
| C12 | C11 | C15 | H15 | 5.2° | 0.7° |
| C11 | C12 | O13 | H1 | 180.0° | 180.0° |
| O13 | C12 | C11 | C15 | 162.1° | 0.0° |
| O14 | C12 | C11 | C15 | 17.8° | 180.0° |
| O14 | C12 | O13 | H1 | 0.0° | 0.0° |
| C11 | C15 | C16 | H15 | 180.0° | 179.3° |
| C11 | C15 | C16 | C17 | 0.1° | 0.5° |
| C15 | C11 | C10 | H10 | 179.6° | 179.9° |
| C11 | C15 | C16 | H16 | 180.0° | 179.5° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C2 | 175.7° | 180.0° |
| C15 | C16 | C17 | C9 | 0.1° | 0.0° |
| C16 | C17 | C2 | C9 | 176.2° | 180.0° |
| C17 | C16 | C15 | H15 | 179.9° | 179.8° |
| O18 | C8 | C9 | C17 | 178.4° | 180.0° |
| C2 | C17 | C16 | H16 | 4.3° | 0.0° |
| C17 | C9 | C10 | H10 | 179.7° | 179.6° |
| C9 | C17 | C16 | H16 | 179.9° | 180.0° |
| H7A | C7 | H7B | H7C | 120.0° | 120.0° |
| H6A | C6 | H6B | H6C | 120.0° | 120.0° |
| H5A | C5 | H5B | H5C | 120.0° | 120.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.2° |
