4RM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.51Å | 1.56Å | |
| C22 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | N15 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| N15 | C14 | sing | 1.32Å | 1.32Å | Aromatic |
| C19 | N18 | sing | 1.37Å | 1.44Å | |
| C17 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| S09 | C08 | sing | 1.77Å | 1.63Å | |
| S09 | C10 | sing | 1.77Å | 1.61Å | |
| C12 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.52Å | |
| N18 | C08 | doub | 1.31Å | 1.32Å | |
| C08 | N03 | sing | 1.37Å | 1.53Å | |
| C10 | C11 | doub | 1.36Å | 1.36Å | |
| C10 | C02 | sing | 1.47Å | 1.55Å | |
| N03 | C02 | sing | 1.32Å | 1.62Å | |
| N03 | C04 | sing | 1.46Å | 1.41Å | |
| C02 | O01 | doub | 1.22Å | 1.22Å | |
| O06 | C07 | sing | 1.43Å | 1.45Å | |
| O06 | C05 | sing | 1.43Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 112.5° | 109.4° |
| C24 | C23 | H16 | 108.7° | 109.5° |
| C24 | C23 | H17 | 108.7° | 109.5° |
| C23 | C24 | H18 | 109.5° | 109.5° |
| C23 | C24 | H19 | 109.5° | 109.5° |
| C23 | C24 | H20 | 109.5° | 109.5° |
| C23 | C22 | C21 | 121.1° | 119.9° |
| C23 | C22 | C25 | 118.7° | 119.8° |
| C22 | C23 | H16 | 108.7° | 109.5° |
| C22 | C23 | H17 | 108.7° | 109.4° |
| C21 | C22 | C25 | 120.2° | 120.3° |
| C22 | C21 | C20 | 120.1° | 120.2° |
| C22 | C21 | H15 | 119.9° | 119.9° |
| C22 | C25 | C26 | 119.8° | 120.1° |
| C22 | C25 | H21 | 120.1° | 119.9° |
| C21 | C20 | C19 | 118.9° | 119.8° |
| C21 | C20 | H14 | 120.5° | 120.1° |
| C20 | C21 | H15 | 119.9° | 119.9° |
| C25 | C26 | C19 | 120.1° | 119.8° |
| C26 | C25 | H21 | 120.1° | 120.0° |
| C25 | C26 | H22 | 119.9° | 120.1° |
| N15 | C16 | C17 | 120.5° | 121.0° |
| C16 | N15 | C14 | 122.4° | 122.1° |
| N15 | C16 | H12 | 119.8° | 119.6° |
| C16 | C17 | C12 | 119.8° | 118.9° |
| C17 | C16 | H12 | 119.7° | 119.4° |
| C16 | C17 | H13 | 120.1° | 120.6° |
| C20 | C19 | C26 | 120.8° | 119.7° |
| C20 | C19 | N18 | 119.9° | 120.1° |
| C19 | C20 | H14 | 120.6° | 120.1° |
| C26 | C19 | N18 | 119.3° | 120.1° |
| C19 | C26 | H22 | 119.9° | 120.1° |
| N15 | C14 | C13 | 120.5° | 120.9° |
| N15 | C14 | H11 | 119.7° | 119.6° |
| C19 | N18 | C08 | 123.4° | 120.0° |
| C17 | C12 | C13 | 116.9° | 118.1° |
| C17 | C12 | C11 | 123.8° | 121.0° |
| C12 | C17 | H13 | 120.1° | 120.5° |
| C14 | C13 | C12 | 119.9° | 119.0° |
| C14 | C13 | H10 | 120.1° | 120.5° |
| C13 | C14 | H11 | 119.8° | 119.5° |
| C08 | S09 | C10 | 106.6° | 94.8° |
| S09 | C08 | N18 | 128.2° | 126.6° |
| S09 | C08 | N03 | 108.7° | 106.8° |
| S09 | C10 | C11 | 132.1° | 127.8° |
| S09 | C10 | C02 | 107.6° | 104.5° |
| C13 | C12 | C11 | 119.3° | 121.0° |
| C12 | C13 | H10 | 120.0° | 120.5° |
| C12 | C11 | C10 | 129.9° | 120.0° |
| C12 | C11 | H8 | 115.0° | 120.0° |
| N18 | C08 | N03 | 123.1° | 126.6° |
| C08 | N03 | C02 | 108.1° | 118.7° |
| C08 | N03 | C04 | 127.2° | 120.7° |
| C11 | C10 | C02 | 120.3° | 127.7° |
| C10 | C11 | H8 | 115.0° | 120.0° |
| C10 | C02 | N03 | 109.0° | 115.1° |
| C10 | C02 | O01 | 125.9° | 122.4° |
| C02 | N03 | C04 | 124.7° | 120.6° |
| N03 | C02 | O01 | 125.0° | 122.4° |
| N03 | C04 | C05 | 107.6° | 109.5° |
| N03 | C04 | H1 | 109.9° | 109.5° |
| N03 | C04 | H2 | 109.9° | 109.5° |
| C07 | O06 | C05 | 113.6° | 114.0° |
| O06 | C07 | H5 | 109.5° | 109.5° |
| O06 | C07 | H6 | 109.5° | 109.5° |
| O06 | C07 | H7 | 109.5° | 109.4° |
| O06 | C05 | C04 | 108.9° | 109.5° |
| O06 | C05 | H3 | 109.6° | 109.4° |
| O06 | C05 | H4 | 109.6° | 109.4° |
| C05 | C04 | H1 | 109.9° | 109.5° |
| C05 | C04 | H2 | 110.0° | 109.5° |
| C04 | C05 | H3 | 109.6° | 109.5° |
| C04 | C05 | H4 | 109.6° | 109.5° |
| H1 | C04 | H2 | 109.5° | 109.5° |
| H3 | C05 | H4 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.5° |
| H5 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H20 | 109.5° | 109.4° |
| H19 | C24 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H16 | 120.4° | 120.0° |
| C24 | C23 | C22 | H17 | 120.4° | 120.0° |
| C24 | C23 | C22 | C21 | 51.5° | 90.0° |
| C24 | C23 | C22 | C25 | 128.7° | 90.0° |
| C24 | C23 | H16 | H17 | 118.6° | 120.1° |
| C23 | C24 | H18 | H19 | 120.0° | 120.1° |
| C23 | C24 | H18 | H20 | 120.0° | 120.0° |
| C23 | C24 | H19 | H20 | 120.0° | 120.1° |
| C23 | C22 | C21 | C25 | 179.8° | 180.0° |
| C23 | C22 | C21 | C20 | 179.6° | 180.0° |
| C23 | C22 | C25 | C26 | 179.8° | 179.7° |
| C23 | C22 | C21 | H15 | 0.4° | 0.1° |
| C22 | C23 | H16 | H17 | 118.6° | 120.0° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| C22 | C23 | C24 | H19 | 60.0° | 60.0° |
| C22 | C23 | C24 | H20 | 60.0° | 60.0° |
| C23 | C22 | C25 | H21 | 0.2° | 0.0° |
| C22 | C21 | C20 | H15 | 180.0° | 179.9° |
| C21 | C22 | C25 | C26 | 0.0° | 0.3° |
| C22 | C21 | C20 | C19 | 0.3° | 0.1° |
| C22 | C21 | C20 | H14 | 179.7° | 180.0° |
| C21 | C22 | C23 | H16 | 68.9° | 150.0° |
| C21 | C22 | C23 | H17 | 171.9° | 30.0° |
| C21 | C22 | C25 | H21 | 180.0° | 180.0° |
| C25 | C22 | C21 | C20 | 0.2° | 0.1° |
| C22 | C25 | C26 | H21 | 180.0° | 179.7° |
| C22 | C25 | C26 | C19 | 0.7° | 0.5° |
| C25 | C22 | C21 | H15 | 179.8° | 180.0° |
| C25 | C22 | C23 | H16 | 110.8° | 30.0° |
| C25 | C22 | C23 | H17 | 8.3° | 150.0° |
| C22 | C25 | C26 | H22 | 179.2° | 180.0° |
| C21 | C20 | C19 | H14 | 180.0° | 180.0° |
| C21 | C20 | C19 | C26 | 1.0° | 0.2° |
| C21 | C20 | C19 | N18 | 178.9° | 179.9° |
| C25 | C26 | C19 | C20 | 1.3° | 0.5° |
| C25 | C26 | C19 | H22 | 180.0° | 179.5° |
| C25 | C26 | C19 | N18 | 179.1° | 179.8° |
| N15 | C16 | C17 | H12 | 180.0° | 179.7° |
| N15 | C16 | C17 | C12 | 1.1° | 0.6° |
| C16 | N15 | C14 | C13 | 0.1° | 0.1° |
| C16 | N15 | C14 | H11 | 179.9° | 180.0° |
| N15 | C16 | C17 | H13 | 178.9° | 180.0° |
| C17 | C16 | N15 | C14 | 0.4° | 0.3° |
| C16 | C17 | C12 | H13 | 180.0° | 179.5° |
| C16 | C17 | C12 | C13 | 1.4° | 0.5° |
| C16 | C17 | C12 | C11 | 179.8° | 179.8° |
| C20 | C19 | C26 | N18 | 177.8° | 179.7° |
| C20 | C19 | N18 | C08 | 77.6° | 135.0° |
| C19 | C20 | C21 | H15 | 179.7° | 180.0° |
| C20 | C19 | C26 | H22 | 178.7° | 180.0° |
| C26 | C19 | N18 | C08 | 104.5° | 45.3° |
| C26 | C19 | C20 | H14 | 179.0° | 179.7° |
| C19 | C26 | C25 | H21 | 179.3° | 179.7° |
| N15 | C14 | C13 | H11 | 180.0° | 179.9° |
| N15 | C14 | C13 | C12 | 0.2° | 0.1° |
| N15 | C14 | C13 | H10 | 179.8° | 180.0° |
| C14 | N15 | C16 | H12 | 179.6° | 180.0° |
| C19 | N18 | C08 | S09 | 0.9° | 0.0° |
| C19 | N18 | C08 | N03 | 179.7° | 180.0° |
| N18 | C19 | C20 | H14 | 1.2° | 0.0° |
| N18 | C19 | C26 | H22 | 0.9° | 0.3° |
| C17 | C12 | C13 | C14 | 0.9° | 0.3° |
| C17 | C12 | C13 | C11 | 178.8° | 179.7° |
| C17 | C12 | C11 | C10 | 25.2° | 18.8° |
| C17 | C12 | C11 | H8 | 154.8° | 161.2° |
| C17 | C12 | C13 | H10 | 179.1° | 179.8° |
| C12 | C17 | C16 | H12 | 178.8° | 179.7° |
| C14 | C13 | C12 | H10 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 179.8° | 180.0° |
| S09 | C08 | N18 | N03 | 179.4° | 180.0° |
| C08 | S09 | C10 | C11 | 179.3° | 180.0° |
| C08 | S09 | C10 | C02 | 0.1° | 0.3° |
| S09 | C08 | N03 | C02 | 0.5° | 0.0° |
| S09 | C08 | N03 | C04 | 179.9° | 180.0° |
| S09 | C10 | C11 | C12 | 11.9° | 7.6° |
| C10 | S09 | C08 | N18 | 179.8° | 179.8° |
| C10 | S09 | C08 | N03 | 0.4° | 0.2° |
| S09 | C10 | C11 | C02 | 179.3° | 179.7° |
| S09 | C10 | C02 | N03 | 0.2° | 0.4° |
| S09 | C10 | C02 | O01 | 179.9° | 179.9° |
| S09 | C10 | C11 | H8 | 168.1° | 172.4° |
| C13 | C12 | C11 | C10 | 156.1° | 161.5° |
| C13 | C12 | C11 | H8 | 24.0° | 18.5° |
| C12 | C13 | C14 | H11 | 179.8° | 180.0° |
| C13 | C12 | C17 | H13 | 178.6° | 180.0° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | C02 | 168.9° | 172.1° |
| C11 | C12 | C13 | H10 | 0.3° | 0.1° |
| C11 | C12 | C17 | H13 | 0.1° | 0.3° |
| N18 | C08 | N03 | C02 | 179.9° | 180.0° |
| N18 | C08 | N03 | C04 | 0.6° | 0.0° |
| C08 | N03 | C02 | C10 | 0.4° | 0.3° |
| C08 | N03 | C02 | C04 | 179.4° | 180.0° |
| C08 | N03 | C02 | O01 | 179.9° | 180.0° |
| C08 | N03 | C04 | C05 | 103.2° | 90.0° |
| C08 | N03 | C04 | H1 | 137.1° | 30.0° |
| C08 | N03 | C04 | H2 | 16.5° | 150.0° |
| C11 | C10 | C02 | N03 | 179.6° | 179.9° |
| C11 | C10 | C02 | O01 | 0.6° | 0.2° |
| C10 | C02 | N03 | O01 | 179.7° | 179.7° |
| C10 | C02 | N03 | C04 | 179.9° | 179.7° |
| C02 | C10 | C11 | H8 | 11.2° | 7.9° |
| C02 | N03 | C04 | C05 | 76.1° | 90.0° |
| C02 | N03 | C04 | H1 | 43.6° | 150.0° |
| C02 | N03 | C04 | H2 | 164.2° | 30.0° |
| C04 | N03 | C02 | O01 | 0.4° | 0.0° |
| N03 | C04 | C05 | O06 | 84.0° | 65.0° |
| N03 | C04 | C05 | H1 | 119.7° | 120.0° |
| N03 | C04 | C05 | H2 | 119.7° | 120.0° |
| N03 | C04 | H1 | H2 | 120.8° | 120.0° |
| N03 | C04 | C05 | H3 | 156.1° | 175.1° |
| N03 | C04 | C05 | H4 | 35.9° | 55.0° |
| C07 | O06 | C05 | C04 | 86.2° | 180.0° |
| C07 | O06 | C05 | H3 | 33.7° | 60.0° |
| C07 | O06 | C05 | H4 | 153.9° | 60.0° |
| O06 | C07 | H5 | H6 | 120.0° | 120.1° |
| O06 | C07 | H5 | H7 | 120.0° | 119.9° |
| O06 | C07 | H6 | H7 | 120.0° | 120.0° |
| O06 | C05 | C04 | H3 | 119.9° | 120.0° |
| O06 | C05 | C04 | H4 | 119.9° | 120.0° |
| O06 | C05 | C04 | H1 | 156.3° | 55.0° |
| O06 | C05 | C04 | H2 | 35.7° | 175.0° |
| O06 | C05 | H3 | H4 | 120.3° | 120.0° |
| C05 | O06 | C07 | H5 | 180.0° | 60.0° |
| C05 | O06 | C07 | H6 | 60.0° | 60.0° |
| C05 | O06 | C07 | H7 | 60.0° | 180.0° |
| C05 | C04 | H1 | H2 | 120.9° | 120.0° |
| C04 | C05 | H3 | H4 | 120.3° | 120.1° |
| H1 | C04 | C05 | H3 | 36.4° | 65.0° |
| H1 | C04 | C05 | H4 | 83.8° | 174.9° |
| H2 | C04 | C05 | H3 | 84.3° | 55.0° |
| H2 | C04 | C05 | H4 | 155.6° | 65.0° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H10 | C13 | C14 | H11 | 0.1° | 0.1° |
| H12 | C16 | C17 | H13 | 1.2° | 0.3° |
| H14 | C20 | C21 | H15 | 0.2° | 0.1° |
| H16 | C23 | C24 | H18 | 59.5° | 60.0° |
| H16 | C23 | C24 | H19 | 60.5° | 180.0° |
| H16 | C23 | C24 | H20 | 179.5° | 60.0° |
| H17 | C23 | C24 | H18 | 59.6° | 60.0° |
| H17 | C23 | C24 | H19 | 179.6° | 60.0° |
| H17 | C23 | C24 | H20 | 60.4° | 180.0° |
| H18 | C24 | H19 | H20 | 120.0° | 119.9° |
| H21 | C25 | C26 | H22 | 0.8° | 0.2° |
