0LM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C17 | sing | 1.53Å | 1.49Å | |
| C23 | N16 | sing | 1.47Å | 1.43Å | |
| C17 | N16 | sing | 1.45Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C17 | C19 | sing | 1.54Å | 1.49Å | |
| N16 | C15 | sing | 1.45Å | 1.46Å | |
| C18 | C13 | sing | 1.53Å | 1.48Å | |
| C22 | C15 | sing | 1.53Å | 1.49Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C15 | C21 | sing | 1.54Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.44Å | |
| C13 | N11 | sing | 1.47Å | 1.50Å | |
| O12 | C10 | doub | 1.21Å | 1.22Å | |
| N11 | C10 | sing | 1.35Å | 1.43Å | |
| C10 | C08 | sing | 1.49Å | 1.49Å | |
| C08 | N07 | sing | 1.35Å | 1.43Å | |
| C08 | O09 | doub | 1.21Å | 1.22Å | |
| N07 | C05 | sing | 1.40Å | 1.44Å | |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | CL | sing | 1.74Å | 1.73Å | |
| C03 | F25 | sing | 1.35Å | 1.33Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| N07 | H14 | sing | 0.97Å | 1.00Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C17 | N16 | 108.0° | 111.1° |
| C20 | C17 | C18 | 107.0° | 109.4° |
| C20 | C17 | C19 | 107.2° | 107.2° |
| C17 | C20 | H2 | 109.5° | 109.5° |
| C17 | C20 | H3 | 109.5° | 109.5° |
| C17 | C20 | H4 | 109.4° | 109.5° |
| C23 | N16 | C17 | 117.1° | 112.6° |
| C23 | N16 | C15 | 120.0° | 112.5° |
| N16 | C23 | H24 | 109.5° | 109.5° |
| N16 | C23 | H25 | 109.5° | 109.5° |
| N16 | C23 | H26 | 109.5° | 109.5° |
| N16 | C17 | C18 | 114.3° | 113.1° |
| N16 | C17 | C19 | 110.2° | 108.3° |
| C17 | N16 | C15 | 118.4° | 120.6° |
| C18 | C17 | C19 | 109.8° | 107.5° |
| C17 | C18 | C13 | 116.2° | 110.4° |
| C17 | C18 | H19 | 107.8° | 109.6° |
| C17 | C18 | H20 | 107.8° | 109.3° |
| C17 | C19 | H21 | 109.5° | 109.5° |
| C17 | C19 | H22 | 109.5° | 109.5° |
| C17 | C19 | H23 | 109.5° | 109.5° |
| N16 | C15 | C22 | 106.8° | 111.1° |
| N16 | C15 | C14 | 118.3° | 113.1° |
| N16 | C15 | C21 | 109.5° | 108.3° |
| C18 | C13 | C14 | 115.3° | 108.6° |
| C18 | C13 | N11 | 112.2° | 109.2° |
| C18 | C13 | H1 | 106.2° | 110.5° |
| C13 | C18 | H19 | 107.8° | 109.5° |
| C13 | C18 | H20 | 107.8° | 109.3° |
| C22 | C15 | C14 | 106.8° | 109.4° |
| C22 | C15 | C21 | 105.2° | 107.2° |
| C15 | C22 | H8 | 109.5° | 109.4° |
| C15 | C22 | H9 | 109.5° | 109.5° |
| C15 | C22 | H10 | 109.5° | 109.5° |
| C14 | C15 | C21 | 109.4° | 107.5° |
| C15 | C14 | C13 | 118.6° | 110.4° |
| C15 | C14 | H16 | 107.1° | 109.4° |
| C15 | C14 | H17 | 107.2° | 109.6° |
| C15 | C21 | H5 | 109.5° | 109.5° |
| C15 | C21 | H6 | 109.5° | 109.5° |
| C15 | C21 | H7 | 109.5° | 109.5° |
| C14 | C13 | N11 | 109.8° | 109.2° |
| C14 | C13 | H1 | 106.7° | 110.4° |
| C13 | C14 | H16 | 107.2° | 109.3° |
| C13 | C14 | H17 | 107.1° | 109.4° |
| C13 | N11 | C10 | 120.4° | 120.0° |
| N11 | C13 | H1 | 105.9° | 108.9° |
| C13 | N11 | H15 | 119.8° | 120.0° |
| O12 | C10 | N11 | 120.0° | 120.0° |
| O12 | C10 | C08 | 119.4° | 120.0° |
| N11 | C10 | C08 | 120.6° | 120.0° |
| C10 | N11 | H15 | 119.8° | 120.0° |
| C10 | C08 | N07 | 118.6° | 120.0° |
| C10 | C08 | O09 | 119.6° | 120.0° |
| N07 | C08 | O09 | 121.8° | 119.9° |
| C08 | N07 | C05 | 125.6° | 120.0° |
| C08 | N07 | H14 | 117.2° | 120.0° |
| N07 | C05 | C06 | 118.9° | 120.0° |
| N07 | C05 | C04 | 121.8° | 120.0° |
| C05 | N07 | H14 | 117.2° | 120.0° |
| C05 | C06 | C01 | 120.5° | 119.9° |
| C06 | C05 | C04 | 119.3° | 119.9° |
| C05 | C06 | H13 | 119.7° | 120.0° |
| C06 | C01 | C02 | 120.0° | 120.1° |
| C06 | C01 | H11 | 120.0° | 119.9° |
| C01 | C06 | H13 | 119.8° | 120.0° |
| C05 | C04 | C03 | 120.2° | 119.9° |
| C05 | C04 | H12 | 119.9° | 120.1° |
| C01 | C02 | C03 | 119.7° | 120.1° |
| C01 | C02 | CL | 120.2° | 120.0° |
| C02 | C01 | H11 | 120.0° | 120.0° |
| C04 | C03 | C02 | 120.3° | 120.0° |
| C04 | C03 | F25 | 120.0° | 120.0° |
| C03 | C04 | H12 | 119.9° | 120.0° |
| C03 | C02 | CL | 120.1° | 119.9° |
| C02 | C03 | F25 | 119.7° | 120.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H4 | 109.4° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.4° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H5 | C21 | H7 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.4° | 109.4° |
| H8 | C22 | H9 | 109.4° | 109.5° |
| H8 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 108.7° |
| H19 | C18 | H20 | 109.5° | 108.8° |
| H21 | C19 | H22 | 109.4° | 109.5° |
| H21 | C19 | H23 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.4° |
| H24 | C23 | H25 | 109.4° | 109.5° |
| H24 | C23 | H26 | 109.4° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C17 | N16 | C23 | 49.8° | 139.2° |
| C20 | C17 | N16 | C18 | 119.0° | 123.6° |
| C20 | C17 | N16 | C19 | 116.8° | 117.4° |
| C20 | C17 | C18 | C19 | 116.1° | 116.1° |
| C20 | C17 | N16 | C15 | 154.2° | 84.0° |
| C20 | C17 | C18 | C13 | 164.8° | 75.6° |
| C17 | C20 | H2 | H3 | 120.0° | 120.0° |
| C17 | C20 | H2 | H4 | 120.0° | 120.0° |
| C17 | C20 | H3 | H4 | 120.0° | 120.0° |
| C20 | C17 | C18 | H19 | 43.8° | 163.8° |
| C20 | C17 | C18 | H20 | 74.3° | 44.6° |
| C20 | C17 | C19 | H21 | 180.0° | 179.8° |
| C20 | C17 | C19 | H22 | 60.0° | 60.1° |
| C20 | C17 | C19 | H23 | 60.0° | 59.9° |
| C23 | N16 | C17 | C15 | 156.0° | 136.8° |
| C23 | N16 | C17 | C18 | 168.8° | 97.3° |
| C23 | N16 | C17 | C19 | 67.0° | 21.8° |
| C23 | N16 | C15 | C22 | 61.6° | 139.2° |
| C23 | N16 | C15 | C14 | 178.1° | 97.3° |
| C23 | N16 | C15 | C21 | 51.8° | 21.8° |
| N16 | C23 | H24 | H25 | 120.0° | 120.0° |
| N16 | C23 | H24 | H26 | 120.0° | 120.0° |
| N16 | C23 | H25 | H26 | 120.0° | 120.0° |
| N16 | C17 | C18 | C19 | 124.4° | 119.5° |
| N16 | C17 | C18 | C13 | 45.3° | 48.8° |
| C17 | N16 | C15 | C22 | 143.1° | 83.9° |
| C17 | N16 | C15 | C14 | 22.8° | 39.5° |
| C17 | N16 | C15 | C21 | 103.5° | 158.6° |
| N16 | C17 | C20 | H2 | 180.0° | 60.0° |
| N16 | C17 | C20 | H3 | 60.0° | 180.0° |
| N16 | C17 | C20 | H4 | 60.0° | 60.0° |
| N16 | C17 | C18 | H19 | 75.7° | 71.8° |
| N16 | C17 | C18 | H20 | 166.2° | 169.1° |
| N16 | C17 | C19 | H21 | 62.8° | 59.9° |
| N16 | C17 | C19 | H22 | 177.2° | 180.0° |
| N16 | C17 | C19 | H23 | 57.2° | 60.0° |
| C17 | N16 | C23 | H24 | 180.0° | 52.6° |
| C17 | N16 | C23 | H25 | 60.0° | 172.6° |
| C17 | N16 | C23 | H26 | 60.0° | 67.4° |
| C18 | C17 | N16 | C15 | 35.2° | 39.5° |
| C17 | C18 | C13 | H19 | 121.0° | 120.6° |
| C17 | C18 | C13 | H20 | 121.0° | 120.3° |
| C17 | C18 | C13 | C14 | 42.4° | 60.2° |
| C17 | C18 | C13 | N11 | 84.4° | 179.2° |
| C17 | C18 | C13 | H1 | 160.3° | 61.1° |
| C18 | C17 | C20 | H2 | 56.5° | 174.4° |
| C18 | C17 | C20 | H3 | 63.5° | 54.3° |
| C18 | C17 | C20 | H4 | 176.5° | 65.6° |
| C17 | C18 | H19 | H20 | 117.0° | 119.5° |
| C18 | C17 | C19 | H21 | 64.0° | 62.6° |
| C18 | C17 | C19 | H22 | 56.0° | 57.5° |
| C18 | C17 | C19 | H23 | 176.0° | 177.4° |
| C19 | C17 | N16 | C15 | 89.0° | 158.6° |
| C19 | C17 | C18 | C13 | 79.1° | 168.3° |
| C19 | C17 | C20 | H2 | 61.3° | 58.1° |
| C19 | C17 | C20 | H3 | 178.7° | 62.0° |
| C19 | C17 | C20 | H4 | 58.7° | 178.1° |
| C19 | C17 | C18 | H19 | 159.9° | 47.7° |
| C19 | C17 | C18 | H20 | 41.8° | 71.5° |
| C17 | C19 | H21 | H22 | 120.0° | 120.1° |
| C17 | C19 | H21 | H23 | 120.0° | 120.0° |
| C17 | C19 | H22 | H23 | 120.0° | 120.0° |
| N16 | C15 | C22 | C14 | 127.5° | 125.6° |
| N16 | C15 | C22 | C21 | 116.4° | 118.1° |
| N16 | C15 | C14 | C21 | 126.3° | 119.5° |
| N16 | C15 | C14 | C13 | 19.6° | 48.8° |
| N16 | C15 | C21 | H5 | 180.0° | 62.5° |
| N16 | C15 | C21 | H6 | 60.0° | 57.5° |
| N16 | C15 | C21 | H7 | 60.0° | 177.5° |
| N16 | C15 | C22 | H8 | 180.0° | 174.5° |
| N16 | C15 | C22 | H9 | 60.0° | 54.5° |
| N16 | C15 | C22 | H10 | 60.0° | 65.6° |
| N16 | C15 | C14 | H16 | 140.9° | 169.2° |
| N16 | C15 | C14 | H17 | 101.7° | 71.7° |
| C15 | N16 | C23 | H24 | 24.4° | 167.0° |
| C15 | N16 | C23 | H25 | 95.6° | 47.0° |
| C15 | N16 | C23 | H26 | 144.4° | 73.0° |
| C18 | C13 | C14 | C15 | 29.0° | 60.2° |
| C18 | C13 | C14 | N11 | 128.0° | 119.0° |
| C18 | C13 | C14 | H1 | 117.7° | 121.2° |
| C18 | C13 | N11 | H1 | 115.5° | 120.7° |
| C18 | C13 | N11 | C10 | 73.9° | 86.4° |
| C18 | C13 | N11 | H15 | 106.0° | 93.6° |
| C18 | C13 | C14 | H16 | 150.3° | 179.4° |
| C18 | C13 | C14 | H17 | 92.2° | 60.4° |
| C13 | C18 | H19 | H20 | 117.0° | 119.4° |
| C22 | C15 | C14 | C21 | 113.4° | 116.1° |
| C22 | C15 | C14 | C13 | 139.9° | 75.5° |
| C22 | C15 | C21 | H5 | 65.6° | 177.6° |
| C22 | C15 | C21 | H6 | 174.4° | 62.4° |
| C22 | C15 | C21 | H7 | 54.5° | 57.5° |
| C15 | C22 | H8 | H9 | 120.0° | 120.0° |
| C15 | C22 | H8 | H10 | 120.0° | 119.9° |
| C15 | C22 | H9 | H10 | 120.0° | 120.0° |
| C22 | C15 | C14 | H16 | 98.8° | 44.8° |
| C22 | C15 | C14 | H17 | 18.6° | 164.0° |
| C15 | C14 | C13 | H16 | 121.3° | 120.4° |
| C15 | C14 | C13 | H17 | 121.3° | 120.6° |
| C15 | C14 | C13 | N11 | 98.9° | 179.2° |
| C15 | C14 | C13 | H1 | 146.7° | 61.0° |
| C14 | C15 | C21 | H5 | 48.8° | 60.0° |
| C14 | C15 | C21 | H6 | 71.2° | 180.0° |
| C14 | C15 | C21 | H7 | 168.8° | 60.0° |
| C14 | C15 | C22 | H8 | 52.5° | 60.0° |
| C14 | C15 | C22 | H9 | 172.5° | 180.0° |
| C14 | C15 | C22 | H10 | 67.5° | 60.0° |
| C15 | C14 | H16 | H17 | 115.9° | 119.6° |
| C21 | C15 | C14 | C13 | 106.8° | 168.3° |
| C15 | C21 | H5 | H6 | 120.0° | 120.0° |
| C15 | C21 | H5 | H7 | 120.0° | 120.0° |
| C15 | C21 | H6 | H7 | 120.0° | 120.0° |
| C21 | C15 | C22 | H8 | 63.6° | 56.4° |
| C21 | C15 | C22 | H9 | 56.4° | 63.7° |
| C21 | C15 | C22 | H10 | 176.3° | 176.3° |
| C21 | C15 | C14 | H16 | 14.5° | 71.3° |
| C21 | C15 | C14 | H17 | 132.0° | 47.8° |
| C14 | C13 | N11 | H1 | 114.9° | 120.7° |
| C14 | C13 | N11 | C10 | 156.4° | 155.0° |
| C14 | C13 | N11 | H15 | 23.6° | 25.0° |
| C13 | C14 | H16 | H17 | 115.9° | 119.4° |
| C14 | C13 | C18 | H19 | 78.6° | 60.5° |
| C14 | C13 | C18 | H20 | 163.3° | 179.6° |
| C13 | N11 | C10 | O12 | 0.3° | 0.3° |
| C13 | N11 | C10 | H15 | 180.0° | 180.0° |
| C13 | N11 | C10 | C08 | 179.7° | 180.0° |
| N11 | C13 | C14 | H16 | 22.4° | 60.4° |
| N11 | C13 | C14 | H17 | 139.8° | 58.6° |
| N11 | C13 | C18 | H19 | 154.6° | 58.5° |
| N11 | C13 | C18 | H20 | 36.6° | 60.6° |
| O12 | C10 | N11 | C08 | 180.0° | 179.7° |
| O12 | C10 | C08 | N07 | 0.4° | 0.3° |
| O12 | C10 | C08 | O09 | 180.0° | 179.7° |
| O12 | C10 | N11 | H15 | 179.7° | 179.7° |
| N11 | C10 | C08 | N07 | 179.5° | 180.0° |
| N11 | C10 | C08 | O09 | 0.0° | 0.0° |
| C10 | N11 | C13 | H1 | 41.5° | 34.3° |
| C10 | C08 | N07 | O09 | 179.5° | 180.0° |
| C10 | C08 | N07 | C05 | 179.6° | 174.9° |
| C10 | C08 | N07 | H14 | 0.4° | 5.2° |
| C08 | C10 | N11 | H15 | 0.3° | 0.0° |
| C08 | N07 | C05 | H14 | 180.0° | 180.0° |
| C08 | N07 | C05 | C06 | 144.5° | 145.8° |
| C08 | N07 | C05 | C04 | 37.0° | 34.0° |
| O09 | C08 | N07 | C05 | 0.8° | 5.2° |
| O09 | C08 | N07 | H14 | 179.2° | 174.8° |
| N07 | C05 | C06 | C04 | 178.6° | 179.8° |
| N07 | C05 | C06 | C01 | 179.5° | 179.7° |
| N07 | C05 | C04 | C03 | 179.5° | 180.0° |
| N07 | C05 | C04 | H12 | 0.5° | 0.0° |
| N07 | C05 | C06 | H13 | 0.5° | 0.2° |
| C05 | C06 | C01 | H13 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.4° | 0.5° |
| C06 | C05 | C04 | C03 | 0.9° | 0.2° |
| C05 | C06 | C01 | H11 | 179.6° | 179.8° |
| C06 | C05 | C04 | H12 | 179.1° | 179.8° |
| C06 | C05 | N07 | H14 | 35.5° | 34.2° |
| C01 | C06 | C05 | C04 | 0.8° | 0.5° |
| C06 | C01 | C02 | H11 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.0° | 0.3° |
| C06 | C01 | C02 | CL | 180.0° | 179.8° |
| C05 | C04 | C03 | H12 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C05 | C04 | C03 | F25 | 179.6° | 180.0° |
| C04 | C05 | C06 | H13 | 179.2° | 180.0° |
| C04 | C05 | N07 | H14 | 143.0° | 146.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C01 | C02 | C03 | CL | 179.9° | 179.9° |
| C01 | C02 | C03 | F25 | 179.9° | 180.0° |
| C02 | C01 | C06 | H13 | 179.6° | 180.0° |
| C04 | C03 | C02 | F25 | 179.9° | 180.0° |
| C04 | C03 | C02 | CL | 179.9° | 180.0° |
| C03 | C02 | C01 | H11 | 179.9° | 180.0° |
| C02 | C03 | C04 | H12 | 179.5° | 180.0° |
| CL | C02 | C03 | F25 | 0.0° | 0.1° |
| CL | C02 | C01 | H11 | 0.0° | 0.1° |
| F25 | C03 | C04 | H12 | 0.4° | 0.0° |
| H1 | C13 | N11 | H15 | 138.5° | 145.7° |
| H1 | C13 | C14 | H16 | 92.0° | 59.4° |
| H1 | C13 | C14 | H17 | 25.4° | 178.3° |
| H1 | C13 | C18 | H19 | 39.3° | 178.3° |
| H1 | C13 | C18 | H20 | 78.7° | 59.2° |
| H2 | C20 | H3 | H4 | 120.0° | 120.0° |
| H5 | C21 | H6 | H7 | 120.0° | 120.0° |
| H8 | C22 | H9 | H10 | 120.0° | 120.0° |
| H11 | C01 | C06 | H13 | 0.3° | 0.3° |
| H21 | C19 | H22 | H23 | 120.0° | 119.9° |
| H24 | C23 | H25 | H26 | 120.0° | 120.0° |
