0M1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C19 | sing | 1.53Å | 1.53Å | |
| O18 | C19 | sing | 1.43Å | 1.41Å | |
| O18 | C17 | sing | 1.44Å | 1.40Å | |
| N22 | C21 | sing | 1.47Å | 1.46Å | |
| C23 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.44Å | 1.41Å | |
| C17 | C21 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.55Å | 1.58Å | |
| O20 | C16 | sing | 1.45Å | 1.41Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | N12 | sing | 1.46Å | 1.47Å | |
| N12 | C11 | sing | 1.35Å | 1.38Å | |
| C11 | O13 | doub | 1.21Å | 1.22Å | |
| C11 | C10 | sing | 1.49Å | 1.55Å | |
| O14 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | N09 | sing | 1.35Å | 1.40Å | |
| N09 | C04 | sing | 1.40Å | 1.43Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| F08 | C02 | sing | 1.35Å | 1.32Å | |
| C02 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | CL1 | sing | 1.74Å | 1.69Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| N09 | H4 | sing | 0.97Å | 1.00Å | |
| N12 | H5 | sing | 0.97Å | 1.00Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| N22 | H12 | sing | 1.01Å | 1.00Å | |
| N22 | H13 | sing | 1.01Å | 1.00Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C19 | O18 | 108.2° | 109.6° |
| C24 | C19 | C23 | 109.2° | 109.5° |
| C24 | C19 | O20 | 111.6° | 109.6° |
| C19 | C24 | H18 | 109.5° | 109.5° |
| C19 | C24 | H19 | 109.5° | 109.4° |
| C19 | C24 | H20 | 109.5° | 109.5° |
| C19 | O18 | C17 | 110.0° | 107.3° |
| O18 | C19 | C23 | 110.7° | 109.6° |
| O18 | C19 | O20 | 105.3° | 108.8° |
| O18 | C17 | C21 | 108.8° | 110.7° |
| O18 | C17 | C16 | 104.6° | 103.1° |
| O18 | C17 | H9 | 111.8° | 110.8° |
| N22 | C21 | C17 | 114.7° | 109.4° |
| N22 | C21 | H10 | 108.1° | 109.4° |
| N22 | C21 | H11 | 108.1° | 109.5° |
| C21 | N22 | H12 | 109.5° | 111.1° |
| C21 | N22 | H13 | 109.5° | 111.0° |
| C23 | C19 | O20 | 111.6° | 109.6° |
| C19 | C23 | H15 | 109.5° | 109.5° |
| C19 | C23 | H16 | 109.5° | 109.5° |
| C19 | C23 | H17 | 109.5° | 109.5° |
| C19 | O20 | C16 | 109.2° | 104.8° |
| C21 | C17 | C16 | 112.6° | 110.7° |
| C21 | C17 | H9 | 109.6° | 110.6° |
| C17 | C21 | H10 | 108.2° | 109.5° |
| C17 | C21 | H11 | 108.1° | 109.5° |
| C17 | C16 | O20 | 102.0° | 101.8° |
| C17 | C16 | C15 | 115.3° | 111.0° |
| C17 | C16 | H8 | 109.4° | 111.0° |
| C16 | C17 | H9 | 109.3° | 110.7° |
| O20 | C16 | C15 | 108.3° | 111.0° |
| O20 | C16 | H8 | 111.9° | 111.0° |
| C16 | C15 | N12 | 115.0° | 109.5° |
| C16 | C15 | H6 | 108.1° | 109.5° |
| C16 | C15 | H7 | 108.1° | 109.5° |
| C15 | C16 | H8 | 109.8° | 110.8° |
| C15 | N12 | C11 | 119.2° | 120.0° |
| C15 | N12 | H5 | 120.4° | 119.9° |
| N12 | C15 | H6 | 108.1° | 109.5° |
| N12 | C15 | H7 | 108.1° | 109.4° |
| N12 | C11 | O13 | 122.1° | 120.0° |
| N12 | C11 | C10 | 118.6° | 120.0° |
| C11 | N12 | H5 | 120.4° | 120.0° |
| O13 | C11 | C10 | 119.3° | 120.0° |
| C11 | C10 | O14 | 118.0° | 120.0° |
| C11 | C10 | N09 | 117.2° | 120.0° |
| O14 | C10 | N09 | 124.7° | 120.0° |
| C10 | N09 | C04 | 126.4° | 120.0° |
| C10 | N09 | H4 | 116.8° | 120.0° |
| N09 | C04 | C03 | 121.1° | 120.0° |
| N09 | C04 | C05 | 120.3° | 120.1° |
| C04 | N09 | H4 | 116.8° | 120.0° |
| C04 | C03 | C02 | 120.0° | 119.9° |
| C03 | C04 | C05 | 118.5° | 119.9° |
| C04 | C03 | H1 | 120.0° | 120.1° |
| C03 | C02 | F08 | 118.9° | 120.0° |
| C03 | C02 | C01 | 120.7° | 120.0° |
| C02 | C03 | H1 | 120.0° | 120.0° |
| C04 | C05 | C06 | 120.8° | 119.9° |
| C04 | C05 | H2 | 119.6° | 120.1° |
| F08 | C02 | C01 | 120.4° | 120.0° |
| C02 | C01 | C06 | 119.6° | 120.1° |
| C02 | C01 | CL1 | 119.9° | 120.0° |
| C05 | C06 | C01 | 120.4° | 120.1° |
| C06 | C05 | H2 | 119.6° | 120.0° |
| C05 | C06 | H3 | 119.8° | 119.9° |
| C06 | C01 | CL1 | 120.6° | 119.9° |
| C01 | C06 | H3 | 119.8° | 120.0° |
| H6 | C15 | H7 | 109.4° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H12 | N22 | H13 | 109.5° | 111.0° |
| H15 | C23 | H16 | 109.4° | 109.5° |
| H15 | C23 | H17 | 109.4° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.4° |
| H18 | C24 | H19 | 109.4° | 109.5° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C19 | O18 | C23 | 119.7° | 120.2° |
| C24 | C19 | O18 | O20 | 119.5° | 119.9° |
| C24 | C19 | O18 | C17 | 142.3° | 120.5° |
| C24 | C19 | C23 | O20 | 123.9° | 120.3° |
| C24 | C19 | O20 | C16 | 148.7° | 144.2° |
| C24 | C19 | C23 | H15 | 180.0° | 58.9° |
| C24 | C19 | C23 | H16 | 60.0° | 61.2° |
| C24 | C19 | C23 | H17 | 60.0° | 178.9° |
| C19 | C24 | H18 | H19 | 120.0° | 120.0° |
| C19 | C24 | H18 | H20 | 120.0° | 120.0° |
| C19 | C24 | H19 | H20 | 120.0° | 120.0° |
| O18 | C19 | C23 | O20 | 117.0° | 119.4° |
| C19 | O18 | C17 | C21 | 114.0° | 139.8° |
| C19 | O18 | C17 | C16 | 6.5° | 21.4° |
| O18 | C19 | O20 | C16 | 31.5° | 24.3° |
| C19 | O18 | C17 | H9 | 124.7° | 97.0° |
| O18 | C19 | C23 | H15 | 60.9° | 61.4° |
| O18 | C19 | C23 | H16 | 59.1° | 178.5° |
| O18 | C19 | C23 | H17 | 179.1° | 58.6° |
| O18 | C19 | C24 | H18 | 180.0° | 58.6° |
| O18 | C19 | C24 | H19 | 60.0° | 178.6° |
| O18 | C19 | C24 | H20 | 60.0° | 61.5° |
| O18 | C17 | C21 | N22 | 31.5° | 66.3° |
| C17 | O18 | C19 | C23 | 98.0° | 119.2° |
| C17 | O18 | C19 | O20 | 22.8° | 0.6° |
| O18 | C17 | C21 | C16 | 115.5° | 113.6° |
| O18 | C17 | C21 | H9 | 122.6° | 123.3° |
| O18 | C17 | C16 | H9 | 119.9° | 118.6° |
| O18 | C17 | C16 | O20 | 11.8° | 35.6° |
| O18 | C17 | C16 | C15 | 128.9° | 153.7° |
| O18 | C17 | C16 | H8 | 106.8° | 82.6° |
| O18 | C17 | C21 | H10 | 152.3° | 53.6° |
| O18 | C17 | C21 | H11 | 89.3° | 173.7° |
| N22 | C21 | C17 | H10 | 120.8° | 120.0° |
| N22 | C21 | C17 | H11 | 120.8° | 120.0° |
| N22 | C21 | C17 | C16 | 146.9° | 180.0° |
| N22 | C21 | C17 | H9 | 91.1° | 56.9° |
| N22 | C21 | H10 | H11 | 117.6° | 120.0° |
| C21 | N22 | H12 | H13 | 120.0° | 123.9° |
| C23 | C19 | O20 | C16 | 88.8° | 95.6° |
| C19 | C23 | H15 | H16 | 120.0° | 120.0° |
| C19 | C23 | H15 | H17 | 120.0° | 120.0° |
| C19 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C19 | C24 | H18 | 59.3° | 178.9° |
| C23 | C19 | C24 | H19 | 60.7° | 61.1° |
| C23 | C19 | C24 | H20 | 179.3° | 58.8° |
| C19 | O20 | C16 | C17 | 26.3° | 36.1° |
| C19 | O20 | C16 | C15 | 148.3° | 154.2° |
| C19 | O20 | C16 | H8 | 90.6° | 82.1° |
| O20 | C19 | C23 | H15 | 56.1° | 179.2° |
| O20 | C19 | C23 | H16 | 176.1° | 59.2° |
| O20 | C19 | C23 | H17 | 63.9° | 60.8° |
| O20 | C19 | C24 | H18 | 64.5° | 60.8° |
| O20 | C19 | C24 | H19 | 175.5° | 59.2° |
| O20 | C19 | C24 | H20 | 55.5° | 179.1° |
| C21 | C17 | C16 | H9 | 122.1° | 123.1° |
| C21 | C17 | C16 | O20 | 129.8° | 153.9° |
| C21 | C17 | C16 | C15 | 113.1° | 87.9° |
| C21 | C17 | C16 | H8 | 11.2° | 35.8° |
| C17 | C21 | H10 | H11 | 117.6° | 120.1° |
| C17 | C21 | N22 | H12 | 180.0° | 56.1° |
| C17 | C21 | N22 | H13 | 60.0° | 180.0° |
| C17 | C16 | O20 | C15 | 122.0° | 118.1° |
| C17 | C16 | O20 | H8 | 116.9° | 118.2° |
| C17 | C16 | C15 | H8 | 124.1° | 123.8° |
| C17 | C16 | C15 | N12 | 83.5° | 176.9° |
| C17 | C16 | C15 | H6 | 155.7° | 63.1° |
| C17 | C16 | C15 | H7 | 37.3° | 56.9° |
| C16 | C17 | C21 | H10 | 92.3° | 60.0° |
| C16 | C17 | C21 | H11 | 26.2° | 60.1° |
| O20 | C16 | C15 | H8 | 122.4° | 123.8° |
| O20 | C16 | C15 | N12 | 163.0° | 64.5° |
| O20 | C16 | C15 | H6 | 42.2° | 175.5° |
| O20 | C16 | C15 | H7 | 76.2° | 55.5° |
| O20 | C16 | C17 | H9 | 108.1° | 83.0° |
| C16 | C15 | N12 | H6 | 120.8° | 120.0° |
| C16 | C15 | N12 | H7 | 120.8° | 120.0° |
| C16 | C15 | N12 | C11 | 120.5° | 180.0° |
| C16 | C15 | N12 | H5 | 59.5° | 0.0° |
| C16 | C15 | H6 | H7 | 117.5° | 120.0° |
| C15 | C16 | C17 | H9 | 9.0° | 35.1° |
| C15 | N12 | C11 | H5 | 180.0° | 180.0° |
| C15 | N12 | C11 | O13 | 0.0° | 0.0° |
| C15 | N12 | C11 | C10 | 180.0° | 180.0° |
| N12 | C15 | H6 | H7 | 117.5° | 119.9° |
| N12 | C15 | C16 | H8 | 40.6° | 59.3° |
| N12 | C11 | O13 | C10 | 180.0° | 179.9° |
| N12 | C11 | C10 | O14 | 0.1° | 0.1° |
| N12 | C11 | C10 | N09 | 179.8° | 180.0° |
| C11 | N12 | C15 | H6 | 0.3° | 59.9° |
| C11 | N12 | C15 | H7 | 118.7° | 60.0° |
| O13 | C11 | C10 | O14 | 179.9° | 180.0° |
| O13 | C11 | C10 | N09 | 0.2° | 0.0° |
| O13 | C11 | N12 | H5 | 180.0° | 180.0° |
| C11 | C10 | O14 | N09 | 179.7° | 180.0° |
| C11 | C10 | N09 | C04 | 179.5° | 174.8° |
| C11 | C10 | N09 | H4 | 0.5° | 5.3° |
| C10 | C11 | N12 | H5 | 0.0° | 0.1° |
| O14 | C10 | N09 | C04 | 0.8° | 5.2° |
| O14 | C10 | N09 | H4 | 179.2° | 174.7° |
| C10 | N09 | C04 | H4 | 180.0° | 179.9° |
| C10 | N09 | C04 | C03 | 21.8° | 33.4° |
| C10 | N09 | C04 | C05 | 158.0° | 146.6° |
| N09 | C04 | C03 | C05 | 179.9° | 180.0° |
| N09 | C04 | C03 | C02 | 179.8° | 179.9° |
| N09 | C04 | C05 | C06 | 179.8° | 179.9° |
| N09 | C04 | C03 | H1 | 0.2° | 0.0° |
| N09 | C04 | C05 | H2 | 0.2° | 0.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | F08 | 179.9° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | H2 | 179.9° | 179.9° |
| C03 | C04 | N09 | H4 | 158.2° | 146.7° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | F08 | C01 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.0° |
| C03 | C02 | C01 | CL1 | 179.9° | 179.7° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C04 | C05 | C06 | C01 | 0.0° | 0.0° |
| C05 | C04 | C03 | H1 | 179.9° | 180.0° |
| C04 | C05 | C06 | H3 | 180.0° | 179.8° |
| C05 | C04 | N09 | H4 | 22.0° | 33.3° |
| F08 | C02 | C01 | C06 | 180.0° | 180.0° |
| F08 | C02 | C01 | CL1 | 0.1° | 0.3° |
| F08 | C02 | C03 | H1 | 0.1° | 0.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C02 | C01 | C06 | CL1 | 180.0° | 179.7° |
| C01 | C02 | C03 | H1 | 179.9° | 180.0° |
| C02 | C01 | C06 | H3 | 180.0° | 179.8° |
| C05 | C06 | C01 | H3 | 180.0° | 179.7° |
| C05 | C06 | C01 | CL1 | 180.0° | 179.7° |
| C01 | C06 | C05 | H2 | 180.0° | 179.9° |
| CL1 | C01 | C06 | H3 | 0.0° | 0.0° |
| H2 | C05 | C06 | H3 | 0.0° | 0.3° |
| H5 | N12 | C15 | H6 | 179.7° | 120.0° |
| H5 | N12 | C15 | H7 | 61.3° | 120.0° |
| H6 | C15 | C16 | H8 | 80.2° | 60.7° |
| H7 | C15 | C16 | H8 | 161.4° | 179.3° |
| H8 | C16 | C17 | H9 | 133.3° | 158.8° |
| H9 | C17 | C21 | H10 | 29.6° | 176.9° |
| H9 | C17 | C21 | H11 | 148.1° | 63.0° |
| H10 | C21 | N22 | H12 | 59.2° | 63.9° |
| H10 | C21 | N22 | H13 | 60.8° | 60.0° |
| H11 | C21 | N22 | H12 | 59.2° | 176.0° |
| H11 | C21 | N22 | H13 | 179.3° | 60.0° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
