0RM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.21Å | 1.25Å | |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| N4 | C5 | sing | 1.49Å | 1.52Å | |
| N4 | C3 | sing | 1.47Å | 1.47Å | |
| C24 | O23 | sing | 1.43Å | 1.44Å | |
| O8 | C7 | doub | 1.21Å | 1.25Å | |
| O23 | C22 | sing | 1.36Å | 1.36Å | |
| C11 | C3 | sing | 1.51Å | 1.48Å | |
| C11 | O13 | sing | 1.34Å | 1.26Å | |
| C9 | C5 | sing | 1.53Å | 1.58Å | |
| C9 | C7 | sing | 1.51Å | 1.52Å | |
| C9 | N14 | sing | 1.46Å | 1.44Å | |
| C5 | S1 | sing | 1.84Å | 1.81Å | |
| C15 | N14 | sing | 1.35Å | 1.34Å | |
| C15 | C17 | sing | 1.47Å | 1.53Å | |
| C7 | OG | sing | 1.34Å | 1.25Å | |
| C3 | C2 | sing | 1.54Å | 1.56Å | |
| C22 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C2 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | S1 | sing | 1.84Å | 1.82Å | |
| C2 | C6 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | O25 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| O25 | C26 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N14 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| O13 | H11 | sing | 0.97Å | 0.95Å | |
| N4 | H12 | sing | 1.01Å | 1.00Å | |
| OG | H14 | sing | 0.97Å | 0.95Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C3 | 121.9° | 120.0° |
| O12 | C11 | O13 | 121.6° | 120.0° |
| O16 | C15 | N14 | 124.9° | 120.0° |
| O16 | C15 | C17 | 119.6° | 120.0° |
| C5 | N4 | C3 | 108.0° | 111.0° |
| N4 | C5 | C9 | 111.9° | 111.1° |
| N4 | C5 | S1 | 108.2° | 100.9° |
| N4 | C5 | H3 | 110.0° | 111.1° |
| C5 | N4 | H12 | 109.8° | 111.0° |
| N4 | C3 | C11 | 108.3° | 108.7° |
| N4 | C3 | C2 | 106.7° | 112.9° |
| N4 | C3 | H10 | 108.1° | 108.8° |
| C3 | N4 | H12 | 109.8° | 111.0° |
| C24 | O23 | C22 | 119.7° | 117.0° |
| O23 | C24 | H21 | 109.5° | 109.4° |
| O23 | C24 | H22 | 109.5° | 109.5° |
| O23 | C24 | H23 | 109.5° | 109.5° |
| O8 | C7 | C9 | 117.7° | 119.9° |
| O8 | C7 | OG | 125.0° | 120.0° |
| O23 | C22 | C17 | 116.5° | 120.1° |
| O23 | C22 | C21 | 123.9° | 120.1° |
| C3 | C11 | O13 | 116.5° | 120.0° |
| C11 | C3 | C2 | 118.4° | 108.8° |
| C11 | C3 | H10 | 107.9° | 108.8° |
| C11 | O13 | H11 | 109.5° | 117.0° |
| C5 | C9 | C7 | 116.0° | 109.5° |
| C5 | C9 | N14 | 110.0° | 109.5° |
| C9 | C5 | S1 | 110.7° | 111.2° |
| C5 | C9 | H2 | 105.2° | 109.5° |
| C9 | C5 | H3 | 109.2° | 111.0° |
| C7 | C9 | N14 | 112.4° | 109.5° |
| C9 | C7 | OG | 117.3° | 120.0° |
| C7 | C9 | H2 | 105.7° | 109.4° |
| C9 | N14 | C15 | 121.3° | 120.0° |
| C9 | N14 | H1 | 119.3° | 120.0° |
| N14 | C9 | H2 | 106.8° | 109.5° |
| C5 | S1 | C2 | 93.1° | 94.9° |
| S1 | C5 | H3 | 106.7° | 111.1° |
| N14 | C15 | C17 | 115.5° | 120.0° |
| C15 | N14 | H1 | 119.4° | 120.0° |
| C15 | C17 | C22 | 119.6° | 120.3° |
| C15 | C17 | C18 | 119.8° | 120.2° |
| C7 | OG | H14 | 109.5° | 117.0° |
| C3 | C2 | C10 | 112.3° | 110.8° |
| C3 | C2 | S1 | 99.9° | 103.5° |
| C3 | C2 | C6 | 112.5° | 110.6° |
| C2 | C3 | H10 | 107.0° | 108.8° |
| C17 | C22 | C21 | 119.4° | 119.8° |
| C22 | C17 | C18 | 120.5° | 119.5° |
| C22 | C21 | C20 | 118.5° | 120.2° |
| C22 | C21 | H20 | 120.8° | 119.9° |
| C10 | C2 | S1 | 111.7° | 110.6° |
| C10 | C2 | C6 | 108.8° | 110.5° |
| C2 | C10 | H4 | 109.5° | 109.5° |
| C2 | C10 | H5 | 109.5° | 109.4° |
| C2 | C10 | H6 | 109.5° | 109.5° |
| C17 | C18 | O25 | 117.3° | 120.1° |
| C17 | C18 | C19 | 121.1° | 119.7° |
| S1 | C2 | C6 | 111.5° | 110.6° |
| C2 | C6 | H7 | 109.5° | 109.5° |
| C2 | C6 | H8 | 109.4° | 109.5° |
| C2 | C6 | H9 | 109.5° | 109.5° |
| C21 | C20 | C19 | 124.0° | 120.5° |
| C21 | C20 | H19 | 118.0° | 119.7° |
| C20 | C21 | H20 | 120.7° | 119.9° |
| O25 | C18 | C19 | 121.5° | 120.2° |
| C18 | O25 | C26 | 121.6° | 117.0° |
| C18 | C19 | C20 | 116.2° | 120.3° |
| C18 | C19 | H18 | 121.9° | 119.8° |
| O25 | C26 | H15 | 109.5° | 109.4° |
| O25 | C26 | H16 | 109.4° | 109.4° |
| O25 | C26 | H17 | 109.5° | 109.5° |
| C20 | C19 | H18 | 121.9° | 119.9° |
| C19 | C20 | H19 | 118.0° | 119.8° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.4° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.4° | 109.4° |
| H7 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H15 | C26 | H17 | 109.4° | 109.5° |
| H16 | C26 | H17 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H21 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C3 | N4 | 15.0° | 23.3° |
| O12 | C11 | C3 | O13 | 178.9° | 179.9° |
| O12 | C11 | C3 | C2 | 106.5° | 99.9° |
| O12 | C11 | C3 | H10 | 131.9° | 141.6° |
| O12 | C11 | O13 | H11 | 0.0° | 0.1° |
| O16 | C15 | N14 | C9 | 5.3° | 0.0° |
| O16 | C15 | N14 | C17 | 179.7° | 179.7° |
| O16 | C15 | C17 | C22 | 67.1° | 90.2° |
| O16 | C15 | C17 | C18 | 117.7° | 90.0° |
| O16 | C15 | N14 | H1 | 174.7° | 180.0° |
| C5 | N4 | C3 | H12 | 119.8° | 123.9° |
| C5 | N4 | C3 | C11 | 172.5° | 89.0° |
| N4 | C5 | C9 | S1 | 120.8° | 111.5° |
| N4 | C5 | C9 | H3 | 122.0° | 124.2° |
| N4 | C5 | C9 | C7 | 45.3° | 176.9° |
| N4 | C5 | C9 | N14 | 174.2° | 63.1° |
| N4 | C5 | S1 | H3 | 118.4° | 117.9° |
| C5 | N4 | C3 | C2 | 43.9° | 31.8° |
| N4 | C5 | S1 | C2 | 12.7° | 34.6° |
| N4 | C5 | C9 | H2 | 71.2° | 56.9° |
| C5 | N4 | C3 | H10 | 70.8° | 152.7° |
| N4 | C3 | C11 | C2 | 121.6° | 123.3° |
| N4 | C3 | C11 | H10 | 116.8° | 118.3° |
| N4 | C3 | C11 | O13 | 163.8° | 156.8° |
| C3 | N4 | C5 | C9 | 106.1° | 160.4° |
| C3 | N4 | C5 | S1 | 16.1° | 42.4° |
| N4 | C3 | C2 | H10 | 115.5° | 120.9° |
| N4 | C3 | C2 | C10 | 67.8° | 122.4° |
| N4 | C3 | C2 | S1 | 50.7° | 3.8° |
| N4 | C3 | C2 | C6 | 169.0° | 114.7° |
| C3 | N4 | C5 | H3 | 132.4° | 75.5° |
| C24 | O23 | C22 | C17 | 174.9° | 180.0° |
| C24 | O23 | C22 | C21 | 9.0° | 0.2° |
| O23 | C24 | H21 | H22 | 120.0° | 120.0° |
| O23 | C24 | H21 | H23 | 120.0° | 120.0° |
| O23 | C24 | H22 | H23 | 120.0° | 120.0° |
| O8 | C7 | C9 | C5 | 58.5° | 95.0° |
| O8 | C7 | C9 | OG | 179.7° | 180.0° |
| O8 | C7 | C9 | N14 | 173.8° | 25.1° |
| O8 | C7 | C9 | H2 | 57.7° | 145.1° |
| O8 | C7 | OG | H14 | 0.0° | 0.0° |
| O23 | C22 | C17 | C15 | 3.3° | 0.0° |
| O23 | C22 | C17 | C21 | 176.2° | 179.8° |
| O23 | C22 | C17 | C18 | 178.5° | 179.7° |
| O23 | C22 | C21 | C20 | 179.8° | 179.7° |
| O23 | C22 | C21 | H20 | 0.2° | 0.1° |
| C22 | O23 | C24 | H21 | 180.0° | 60.0° |
| C22 | O23 | C24 | H22 | 60.0° | 180.0° |
| C22 | O23 | C24 | H23 | 60.0° | 60.0° |
| C11 | C3 | C2 | H10 | 122.1° | 118.4° |
| C11 | C3 | C2 | C10 | 54.6° | 1.7° |
| C11 | C3 | C2 | S1 | 173.1° | 116.9° |
| C11 | C3 | C2 | C6 | 68.6° | 124.6° |
| C3 | C11 | O13 | H11 | 178.9° | 180.0° |
| C11 | C3 | N4 | H12 | 67.7° | 147.1° |
| O13 | C11 | C3 | C2 | 74.6° | 80.0° |
| O13 | C11 | C3 | H10 | 47.0° | 38.4° |
| C5 | C9 | C7 | N14 | 127.8° | 120.1° |
| C5 | C9 | C7 | H2 | 116.1° | 120.0° |
| C5 | C9 | N14 | H2 | 113.6° | 120.0° |
| C9 | C5 | S1 | H3 | 118.7° | 124.2° |
| C5 | C9 | N14 | C15 | 98.7° | 155.0° |
| C5 | C9 | C7 | OG | 121.3° | 85.1° |
| C9 | C5 | S1 | C2 | 135.6° | 152.5° |
| C5 | C9 | N14 | H1 | 81.3° | 25.1° |
| C9 | C5 | N4 | H12 | 13.7° | 36.5° |
| C7 | C9 | N14 | H2 | 115.5° | 120.0° |
| C7 | C9 | C5 | S1 | 75.5° | 65.3° |
| C7 | C9 | N14 | C15 | 130.4° | 85.0° |
| C7 | C9 | N14 | H1 | 49.6° | 95.0° |
| C7 | C9 | C5 | H3 | 167.3° | 58.9° |
| C9 | C7 | OG | H14 | 179.7° | 180.0° |
| N14 | C9 | C5 | S1 | 53.4° | 174.6° |
| C9 | N14 | C15 | H1 | 180.0° | 179.9° |
| C9 | N14 | C15 | C17 | 175.0° | 179.7° |
| N14 | C9 | C7 | OG | 6.5° | 154.9° |
| N14 | C9 | C5 | H3 | 63.8° | 61.1° |
| C5 | S1 | C2 | C3 | 35.0° | 18.3° |
| C5 | S1 | C2 | C10 | 84.0° | 100.3° |
| C5 | S1 | C2 | C6 | 154.1° | 136.8° |
| S1 | C5 | C9 | H2 | 168.0° | 54.6° |
| S1 | C5 | N4 | H12 | 135.9° | 81.5° |
| N14 | C15 | C17 | C22 | 113.2° | 89.4° |
| N14 | C15 | C17 | C18 | 62.0° | 90.3° |
| C15 | N14 | C9 | H2 | 14.9° | 35.0° |
| C15 | C17 | C22 | C18 | 175.2° | 179.7° |
| C15 | C17 | C22 | C21 | 179.5° | 179.8° |
| C15 | C17 | C18 | O25 | 2.6° | 0.0° |
| C15 | C17 | C18 | C19 | 179.3° | 180.0° |
| C17 | C15 | N14 | H1 | 5.0° | 0.4° |
| OG | C7 | C9 | H2 | 122.6° | 34.9° |
| C3 | C2 | C10 | S1 | 111.4° | 114.1° |
| C3 | C2 | C10 | C6 | 125.2° | 123.0° |
| C3 | C2 | S1 | C6 | 119.1° | 118.5° |
| C3 | C2 | C10 | H4 | 180.0° | 175.6° |
| C3 | C2 | C10 | H5 | 60.0° | 64.4° |
| C3 | C2 | C10 | H6 | 60.0° | 55.6° |
| C3 | C2 | C6 | H7 | 180.0° | 55.5° |
| C3 | C2 | C6 | H8 | 60.0° | 64.5° |
| C3 | C2 | C6 | H9 | 60.0° | 175.5° |
| C2 | C3 | N4 | H12 | 163.7° | 92.1° |
| C17 | C22 | C21 | C20 | 3.9° | 0.5° |
| C22 | C17 | C18 | O25 | 177.8° | 179.8° |
| C22 | C17 | C18 | C19 | 5.5° | 0.2° |
| C17 | C22 | C21 | H20 | 176.1° | 179.7° |
| C21 | C22 | C17 | C18 | 5.3° | 0.5° |
| C22 | C21 | C20 | H20 | 180.0° | 179.8° |
| C22 | C21 | C20 | C19 | 2.7° | 0.2° |
| C22 | C21 | C20 | H19 | 177.3° | 179.8° |
| C10 | C2 | S1 | C6 | 121.9° | 122.8° |
| C2 | C10 | H4 | H5 | 120.0° | 120.0° |
| C2 | C10 | H4 | H6 | 120.0° | 120.0° |
| C2 | C10 | H5 | H6 | 120.0° | 120.0° |
| C10 | C2 | C6 | H7 | 54.9° | 178.6° |
| C10 | C2 | C6 | H8 | 174.9° | 58.6° |
| C10 | C2 | C6 | H9 | 65.1° | 61.4° |
| C10 | C2 | C3 | H10 | 176.7° | 116.7° |
| C17 | C18 | O25 | C19 | 176.7° | 180.0° |
| C17 | C18 | O25 | C26 | 170.8° | 180.0° |
| C17 | C18 | C19 | C20 | 4.1° | 0.0° |
| C17 | C18 | C19 | H18 | 176.0° | 179.9° |
| C2 | S1 | C5 | H3 | 105.7° | 83.3° |
| S1 | C2 | C10 | H4 | 68.6° | 61.5° |
| S1 | C2 | C10 | H5 | 171.4° | 178.5° |
| S1 | C2 | C10 | H6 | 51.3° | 58.6° |
| S1 | C2 | C6 | H7 | 68.6° | 58.6° |
| S1 | C2 | C6 | H8 | 51.3° | 178.5° |
| S1 | C2 | C6 | H9 | 171.4° | 61.5° |
| S1 | C2 | C3 | H10 | 64.8° | 124.8° |
| C6 | C2 | C10 | H4 | 54.8° | 61.4° |
| C6 | C2 | C10 | H5 | 65.2° | 58.6° |
| C6 | C2 | C10 | H6 | 174.8° | 178.5° |
| C2 | C6 | H7 | H8 | 120.0° | 120.0° |
| C2 | C6 | H7 | H9 | 120.0° | 120.0° |
| C2 | C6 | H8 | H9 | 120.0° | 120.0° |
| C6 | C2 | C3 | H10 | 53.5° | 6.2° |
| C21 | C20 | C19 | C18 | 2.8° | 0.0° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| C21 | C20 | C19 | H18 | 177.2° | 179.9° |
| O25 | C18 | C19 | C20 | 179.3° | 180.0° |
| C18 | O25 | C26 | H15 | 180.0° | 60.1° |
| C18 | O25 | C26 | H16 | 60.0° | 180.0° |
| C18 | O25 | C26 | H17 | 60.0° | 60.0° |
| O25 | C18 | C19 | H18 | 0.6° | 0.1° |
| C19 | C18 | O25 | C26 | 12.4° | 0.0° |
| C18 | C19 | C20 | H18 | 180.0° | 179.9° |
| C18 | C19 | C20 | H19 | 177.2° | 180.0° |
| O25 | C26 | H15 | H16 | 120.0° | 119.9° |
| O25 | C26 | H15 | H17 | 120.0° | 120.0° |
| O25 | C26 | H16 | H17 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20 | 177.2° | 179.9° |
| H1 | N14 | C9 | H2 | 165.1° | 145.1° |
| H2 | C9 | C5 | H3 | 50.9° | 178.9° |
| H3 | C5 | N4 | H12 | 107.9° | 160.6° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C6 | H8 | H9 | 120.0° | 120.0° |
| H10 | C3 | N4 | H12 | 49.0° | 28.8° |
| H15 | C26 | H16 | H17 | 120.0° | 120.1° |
| H18 | C19 | C20 | H19 | 2.7° | 0.0° |
| H19 | C20 | C21 | H20 | 2.7° | 0.0° |
| H21 | C24 | H22 | H23 | 120.0° | 120.0° |
