1M5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C14 | doub | 1.21Å | 1.24Å | |
| C12 | C8 | sing | 1.53Å | 1.54Å | |
| C14 | N15 | sing | 1.35Å | 1.35Å | |
| C14 | C10 | sing | 1.51Å | 1.54Å | |
| C20 | N15 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| N15 | C16 | sing | 1.37Å | 1.36Å | |
| O7 | C8 | sing | 1.43Å | 1.43Å | |
| O7 | C4 | sing | 1.36Å | 1.38Å | |
| C8 | C13 | sing | 1.53Å | 1.55Å | |
| C10 | C5 | sing | 1.50Å | 1.53Å | |
| C10 | N17 | sing | 1.47Å | 1.45Å | |
| C4 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | N17 | doub | 1.30Å | 1.29Å | |
| C16 | N18 | sing | 1.37Å | 1.38Å | |
| C25 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | C11 | sing | 1.48Å | 1.41Å | |
| C24 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | CL1 | sing | 1.74Å | 1.72Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| N18 | H12 | sing | 0.97Å | 1.00Å | |
| N18 | H13 | sing | 0.97Å | 1.00Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C14 | N15 | 127.6° | 127.6° |
| O19 | C14 | C10 | 124.0° | 127.5° |
| C12 | C8 | C9 | 109.9° | 109.8° |
| C12 | C8 | O7 | 107.1° | 109.6° |
| C12 | C8 | C13 | 109.9° | 109.6° |
| C8 | C12 | H6 | 109.5° | 109.5° |
| C8 | C12 | H7 | 109.5° | 109.5° |
| C8 | C12 | H8 | 109.5° | 109.5° |
| N15 | C14 | C10 | 108.2° | 104.9° |
| C14 | N15 | C20 | 124.4° | 124.7° |
| C14 | N15 | C16 | 107.5° | 110.6° |
| C14 | C10 | C9 | 109.7° | 110.3° |
| C14 | C10 | C5 | 108.1° | 110.0° |
| C14 | C10 | N17 | 100.6° | 104.4° |
| C20 | N15 | C16 | 128.0° | 124.6° |
| N15 | C20 | H14 | 109.5° | 109.4° |
| N15 | C20 | H15 | 109.5° | 109.5° |
| N15 | C20 | H16 | 109.5° | 109.5° |
| C8 | C9 | C10 | 113.5° | 108.1° |
| C9 | C8 | O7 | 109.1° | 108.5° |
| C9 | C8 | C13 | 111.4° | 109.7° |
| C8 | C9 | H4 | 108.4° | 109.7° |
| C8 | C9 | H5 | 108.4° | 109.7° |
| C9 | C10 | C5 | 113.5° | 110.6° |
| C9 | C10 | N17 | 111.9° | 110.5° |
| C10 | C9 | H4 | 108.5° | 109.9° |
| C10 | C9 | H5 | 108.4° | 109.6° |
| N15 | C16 | N17 | 114.2° | 112.7° |
| N15 | C16 | N18 | 119.8° | 123.6° |
| C8 | O7 | C4 | 121.9° | 118.1° |
| O7 | C8 | C13 | 109.3° | 109.6° |
| O7 | C4 | C5 | 121.0° | 121.5° |
| O7 | C4 | C3 | 119.2° | 118.6° |
| C8 | C13 | H9 | 109.5° | 109.5° |
| C8 | C13 | H10 | 109.5° | 109.5° |
| C8 | C13 | H11 | 109.5° | 109.5° |
| C5 | C10 | N17 | 112.2° | 110.9° |
| C10 | C5 | C4 | 119.9° | 121.1° |
| C10 | C5 | C6 | 119.9° | 119.0° |
| C10 | N17 | C16 | 109.6° | 107.4° |
| C5 | C4 | C3 | 119.8° | 119.9° |
| C4 | C5 | C6 | 120.1° | 119.9° |
| C4 | C3 | C2 | 120.0° | 120.4° |
| C4 | C3 | H2 | 120.0° | 119.8° |
| C5 | C6 | C1 | 120.2° | 120.2° |
| C5 | C6 | H3 | 119.9° | 119.9° |
| C3 | C2 | C1 | 120.4° | 119.8° |
| C3 | C2 | H1 | 119.8° | 120.1° |
| C2 | C3 | H2 | 120.0° | 119.8° |
| C6 | C1 | C2 | 119.4° | 119.8° |
| C6 | C1 | C11 | 119.6° | 120.1° |
| C1 | C6 | H3 | 119.9° | 119.9° |
| C2 | C1 | C11 | 120.9° | 120.1° |
| C1 | C2 | H1 | 119.8° | 120.1° |
| N17 | C16 | N18 | 126.0° | 123.6° |
| C16 | N18 | H12 | 120.0° | 120.0° |
| C16 | N18 | H13 | 120.0° | 120.0° |
| C24 | C25 | C11 | 120.5° | 119.9° |
| C25 | C24 | C23 | 119.8° | 120.2° |
| C25 | C24 | H19 | 120.1° | 119.9° |
| C24 | C25 | H20 | 119.7° | 120.1° |
| C25 | C11 | C1 | 119.9° | 120.1° |
| C25 | C11 | C21 | 119.6° | 119.8° |
| C11 | C25 | H20 | 119.8° | 120.0° |
| C1 | C11 | C21 | 120.4° | 120.1° |
| C24 | C23 | C22 | 119.6° | 120.2° |
| C24 | C23 | H18 | 120.2° | 119.9° |
| C23 | C24 | H19 | 120.1° | 119.9° |
| C11 | C21 | C22 | 119.8° | 119.9° |
| C11 | C21 | H17 | 120.1° | 120.1° |
| C23 | C22 | C21 | 120.7° | 120.1° |
| C23 | C22 | CL1 | 120.3° | 120.0° |
| C22 | C23 | H18 | 120.2° | 119.9° |
| C21 | C22 | CL1 | 119.0° | 120.0° |
| C22 | C21 | H17 | 120.1° | 120.0° |
| H4 | C9 | H5 | 109.5° | 109.8° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H6 | C12 | H8 | 109.4° | 109.5° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.4° |
| H9 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.4° | 109.4° |
| H12 | N18 | H13 | 120.0° | 120.0° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H16 | 109.4° | 109.5° |
| H15 | C20 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C14 | N15 | C10 | 174.2° | 180.0° |
| O19 | C14 | N15 | C20 | 4.3° | 0.0° |
| O19 | C14 | C10 | C9 | 66.2° | 61.2° |
| O19 | C14 | N15 | C16 | 175.4° | 180.0° |
| O19 | C14 | C10 | C5 | 58.0° | 61.0° |
| O19 | C14 | C10 | N17 | 175.8° | 180.0° |
| C12 | C8 | C9 | O7 | 117.2° | 119.8° |
| C12 | C8 | C9 | C13 | 122.1° | 120.5° |
| C12 | C8 | C9 | C10 | 169.1° | 176.3° |
| C12 | C8 | O7 | C13 | 119.1° | 120.4° |
| C12 | C8 | O7 | C4 | 164.5° | 169.6° |
| C12 | C8 | C9 | H4 | 48.4° | 63.8° |
| C12 | C8 | C9 | H5 | 70.3° | 56.8° |
| C8 | C12 | H6 | H7 | 120.0° | 120.0° |
| C8 | C12 | H6 | H8 | 120.0° | 120.0° |
| C8 | C12 | H7 | H8 | 120.0° | 120.0° |
| C12 | C8 | C13 | H9 | 180.0° | 179.6° |
| C12 | C8 | C13 | H10 | 60.0° | 59.6° |
| C12 | C8 | C13 | H11 | 60.0° | 60.3° |
| C14 | N15 | C20 | C16 | 179.6° | 180.0° |
| N15 | C14 | C10 | C9 | 119.3° | 118.7° |
| N15 | C14 | C10 | C5 | 116.5° | 119.0° |
| N15 | C14 | C10 | N17 | 1.3° | 0.0° |
| C14 | N15 | C16 | N17 | 0.5° | 0.0° |
| C14 | N15 | C16 | N18 | 179.6° | 180.0° |
| C14 | N15 | C20 | H14 | 180.0° | 90.0° |
| C14 | N15 | C20 | H15 | 60.0° | 150.0° |
| C14 | N15 | C20 | H16 | 60.0° | 30.0° |
| C10 | C14 | N15 | C20 | 178.5° | 180.0° |
| C14 | C10 | C9 | C8 | 155.3° | 169.4° |
| C14 | C10 | C9 | C5 | 121.0° | 121.9° |
| C14 | C10 | C9 | N17 | 110.7° | 114.9° |
| C10 | C14 | N15 | C16 | 1.1° | 0.0° |
| C14 | C10 | C5 | N17 | 110.0° | 115.0° |
| C14 | C10 | C5 | C4 | 129.2° | 139.7° |
| C14 | C10 | C5 | C6 | 49.1° | 40.7° |
| C14 | C10 | N17 | C16 | 1.0° | 0.0° |
| C14 | C10 | C9 | H4 | 34.7° | 49.7° |
| C14 | C10 | C9 | H5 | 84.2° | 71.1° |
| C20 | N15 | C16 | N17 | 179.1° | 180.0° |
| C20 | N15 | C16 | N18 | 0.1° | 0.0° |
| N15 | C20 | H14 | H15 | 120.0° | 120.0° |
| N15 | C20 | H14 | H16 | 120.0° | 120.0° |
| N15 | C20 | H15 | H16 | 120.0° | 120.0° |
| C8 | C9 | C10 | H4 | 120.6° | 119.7° |
| C8 | C9 | C10 | H5 | 120.6° | 119.6° |
| C9 | C8 | O7 | C13 | 122.0° | 119.7° |
| C9 | C8 | O7 | C4 | 45.6° | 49.6° |
| C8 | C9 | C10 | C5 | 34.2° | 47.4° |
| C8 | C9 | C10 | N17 | 94.0° | 75.7° |
| C8 | C9 | H4 | H5 | 118.1° | 120.6° |
| C9 | C8 | C12 | H6 | 180.0° | 179.1° |
| C9 | C8 | C12 | H7 | 60.0° | 60.9° |
| C9 | C8 | C12 | H8 | 60.0° | 59.1° |
| C9 | C8 | C13 | H9 | 57.9° | 58.9° |
| C9 | C8 | C13 | H10 | 62.1° | 61.0° |
| C9 | C8 | C13 | H11 | 177.9° | 179.0° |
| C10 | C9 | C8 | O7 | 51.9° | 63.9° |
| C10 | C9 | C8 | C13 | 68.8° | 55.8° |
| C9 | C10 | C5 | N17 | 128.0° | 123.0° |
| C9 | C10 | C5 | C4 | 7.2° | 17.7° |
| C9 | C10 | C5 | C6 | 171.1° | 162.8° |
| C9 | C10 | N17 | C16 | 117.4° | 118.6° |
| C10 | C9 | H4 | H5 | 118.2° | 120.7° |
| N15 | C16 | N17 | C10 | 0.4° | 0.0° |
| N15 | C16 | N17 | N18 | 178.9° | 180.0° |
| N15 | C16 | N18 | H12 | 178.9° | 0.1° |
| N15 | C16 | N18 | H13 | 1.1° | 180.0° |
| C16 | N15 | C20 | H14 | 0.4° | 90.0° |
| C16 | N15 | C20 | H15 | 119.6° | 30.0° |
| C16 | N15 | C20 | H16 | 120.4° | 150.0° |
| C8 | O7 | C4 | C5 | 19.2° | 18.2° |
| C8 | O7 | C4 | C3 | 160.1° | 162.5° |
| O7 | C8 | C9 | H4 | 68.7° | 56.0° |
| O7 | C8 | C9 | H5 | 172.5° | 176.6° |
| O7 | C8 | C12 | H6 | 61.6° | 60.0° |
| O7 | C8 | C12 | H7 | 178.4° | 180.0° |
| O7 | C8 | C12 | H8 | 58.4° | 60.0° |
| O7 | C8 | C13 | H9 | 62.7° | 60.1° |
| O7 | C8 | C13 | H10 | 177.3° | 180.0° |
| O7 | C8 | C13 | H11 | 57.3° | 60.0° |
| C4 | O7 | C8 | C13 | 76.4° | 70.1° |
| O7 | C4 | C5 | C10 | 2.0° | 1.1° |
| O7 | C4 | C5 | C3 | 179.3° | 179.4° |
| O7 | C4 | C5 | C6 | 179.8° | 179.4° |
| O7 | C4 | C3 | C2 | 179.6° | 179.2° |
| O7 | C4 | C3 | H2 | 0.4° | 0.8° |
| C13 | C8 | C9 | H4 | 170.6° | 175.6° |
| C13 | C8 | C9 | H5 | 51.8° | 63.7° |
| C13 | C8 | C12 | H6 | 57.0° | 60.3° |
| C13 | C8 | C12 | H7 | 63.0° | 59.6° |
| C13 | C8 | C12 | H8 | 177.0° | 179.6° |
| C8 | C13 | H9 | H10 | 120.0° | 120.0° |
| C8 | C13 | H9 | H11 | 120.0° | 120.1° |
| C8 | C13 | H10 | H11 | 120.0° | 120.0° |
| C10 | C5 | C4 | C6 | 178.3° | 179.5° |
| C10 | C5 | C4 | C3 | 178.7° | 179.6° |
| C10 | C5 | C6 | C1 | 178.7° | 180.0° |
| C5 | C10 | N17 | C16 | 113.7° | 118.4° |
| C10 | C5 | C6 | H3 | 1.3° | 0.5° |
| C5 | C10 | C9 | H4 | 86.4° | 72.2° |
| C5 | C10 | C9 | H5 | 154.8° | 167.0° |
| N17 | C10 | C5 | C4 | 120.8° | 105.3° |
| N17 | C10 | C5 | C6 | 60.9° | 74.2° |
| C10 | N17 | C16 | N18 | 178.6° | 180.0° |
| N17 | C10 | C9 | H4 | 145.4° | 164.6° |
| N17 | C10 | C9 | H5 | 26.6° | 43.8° |
| C5 | C4 | C3 | C2 | 0.3° | 0.2° |
| C4 | C5 | C6 | C1 | 0.4° | 0.4° |
| C5 | C4 | C3 | H2 | 179.7° | 179.9° |
| C4 | C5 | C6 | H3 | 179.6° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H1 | 179.9° | 179.9° |
| C5 | C6 | C1 | H3 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.3° | 0.6° |
| C5 | C6 | C1 | C11 | 179.0° | 179.7° |
| C3 | C2 | C1 | C6 | 0.1° | 0.4° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C11 | 178.8° | 180.0° |
| C6 | C1 | C2 | C11 | 178.7° | 179.7° |
| C6 | C1 | C11 | C25 | 142.0° | 0.6° |
| C6 | C1 | C11 | C21 | 35.8° | 179.8° |
| C6 | C1 | C2 | H1 | 179.9° | 179.7° |
| C2 | C1 | C11 | C25 | 36.7° | 179.7° |
| C2 | C1 | C11 | C21 | 145.5° | 0.1° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C2 | C1 | C6 | H3 | 179.7° | 179.9° |
| N17 | C16 | N18 | H12 | 0.0° | 179.9° |
| N17 | C16 | N18 | H13 | 180.0° | 0.0° |
| C16 | N18 | H12 | H13 | 180.0° | 179.9° |
| C24 | C25 | C11 | H20 | 180.0° | 179.3° |
| C24 | C25 | C11 | C1 | 178.6° | 179.7° |
| C25 | C24 | C23 | H19 | 180.0° | 179.6° |
| C24 | C25 | C11 | C21 | 0.8° | 0.7° |
| C25 | C24 | C23 | C22 | 0.0° | 0.4° |
| C25 | C24 | C23 | H18 | 179.9° | 179.7° |
| C25 | C11 | C1 | C21 | 177.8° | 179.6° |
| C11 | C25 | C24 | C23 | 0.5° | 0.7° |
| C25 | C11 | C21 | C22 | 0.5° | 0.4° |
| C25 | C11 | C21 | H17 | 179.5° | 179.7° |
| C11 | C25 | C24 | H19 | 179.4° | 179.6° |
| C1 | C11 | C21 | C22 | 178.3° | 180.0° |
| C11 | C1 | C2 | H1 | 1.2° | 0.0° |
| C11 | C1 | C6 | H3 | 1.0° | 0.2° |
| C1 | C11 | C21 | H17 | 1.7° | 0.1° |
| C1 | C11 | C25 | H20 | 1.4° | 0.4° |
| C24 | C23 | C22 | H18 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.3° | 0.1° |
| C24 | C23 | C22 | CL1 | 179.7° | 180.0° |
| C23 | C24 | C25 | H20 | 179.4° | 180.0° |
| C11 | C21 | C22 | C23 | 0.1° | 0.1° |
| C11 | C21 | C22 | H17 | 180.0° | 179.9° |
| C11 | C21 | C22 | CL1 | 179.9° | 180.0° |
| C21 | C11 | C25 | H20 | 179.2° | 180.0° |
| C23 | C22 | C21 | CL1 | 180.0° | 179.9° |
| C23 | C22 | C21 | H17 | 179.9° | 180.0° |
| C22 | C23 | C24 | H19 | 180.0° | 179.9° |
| C21 | C22 | C23 | H18 | 179.6° | 180.0° |
| CL1 | C22 | C21 | H17 | 0.1° | 0.1° |
| CL1 | C22 | C23 | H18 | 0.4° | 0.1° |
| H1 | C2 | C3 | H2 | 0.2° | 0.1° |
| H6 | C12 | H7 | H8 | 120.0° | 120.0° |
| H9 | C13 | H10 | H11 | 120.0° | 120.0° |
| H14 | C20 | H15 | H16 | 119.9° | 120.0° |
| H18 | C23 | C24 | H19 | 0.0° | 0.1° |
| H19 | C24 | C25 | H20 | 0.6° | 0.4° |
