DIM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.20Å | |
| C1 | N1 | sing | 1.35Å | 1.28Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| N1 | C2 | sing | 1.40Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.33Å | 1.38Å | Aromatic |
| C2 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| N2 | C3 | doub | 1.32Å | 1.38Å | Aromatic |
| C3 | N3 | sing | 1.37Å | 1.32Å | Aromatic |
| C3 | C6 | sing | 1.47Å | 1.50Å | |
| N3 | C4 | sing | 1.36Å | 1.40Å | Aromatic |
| N3 | C5 | sing | 1.46Å | 1.49Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C6 | O2 | doub | 1.22Å | 1.22Å | |
| C6 | N4 | sing | 1.35Å | 1.32Å | |
| N4 | C7 | sing | 1.40Å | 1.44Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C7 | N5 | sing | 1.33Å | 1.41Å | Aromatic |
| C7 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| N5 | C8 | doub | 1.32Å | 1.38Å | Aromatic |
| C8 | N6 | sing | 1.37Å | 1.41Å | Aromatic |
| C8 | C11 | sing | 1.47Å | 1.44Å | |
| N6 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| N6 | C10 | sing | 1.47Å | 1.45Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å | |
| C11 | O3 | doub | 1.22Å | 1.21Å | |
| C11 | N7 | sing | 1.35Å | 1.35Å | |
| N7 | C12 | sing | 1.47Å | 1.48Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.46Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.51Å | 1.56Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | N9 | doub | 1.32Å | 1.31Å | |
| C14 | N8 | sing | 1.32Å | 1.34Å | |
| N9 | HN91 | sing | 0.97Å | 1.02Å | |
| N9 | HN92 | sing | 0.97Å | 1.02Å | |
| N8 | HN81 | sing | 0.97Å | 1.02Å | |
| N8 | HN82 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 130.3° | 120.0° |
| O1 | C1 | H1 | 110.9° | 120.0° |
| N1 | C1 | H1 | 118.8° | 120.0° |
| C1 | N1 | C2 | 127.5° | 120.0° |
| C1 | N1 | HN1 | 113.1° | 120.0° |
| C2 | N1 | HN1 | 119.4° | 120.0° |
| N1 | C2 | N2 | 122.8° | 125.9° |
| N1 | C2 | C4 | 129.3° | 125.9° |
| N2 | C2 | C4 | 107.9° | 108.3° |
| C2 | N2 | C3 | 105.3° | 109.2° |
| C2 | C4 | N3 | 108.6° | 107.0° |
| C2 | C4 | H4 | 125.2° | 126.5° |
| N2 | C3 | N3 | 113.2° | 108.5° |
| N2 | C3 | C6 | 128.6° | 125.7° |
| N3 | C3 | C6 | 118.2° | 125.8° |
| C3 | N3 | C4 | 105.0° | 107.1° |
| C3 | N3 | C5 | 134.3° | 126.5° |
| C3 | C6 | O2 | 119.8° | 120.0° |
| C3 | C6 | N4 | 113.0° | 120.0° |
| C4 | N3 | C5 | 120.6° | 126.4° |
| N3 | C4 | H4 | 126.2° | 126.5° |
| N3 | C5 | H51 | 134.3° | 109.5° |
| N3 | C5 | H52 | 103.7° | 109.5° |
| N3 | C5 | H53 | 103.6° | 109.5° |
| H51 | C5 | H52 | 103.7° | 109.5° |
| H51 | C5 | H53 | 103.6° | 109.5° |
| H52 | C5 | H53 | 105.0° | 109.4° |
| O2 | C6 | N4 | 127.2° | 120.0° |
| C6 | N4 | C7 | 119.6° | 120.0° |
| C6 | N4 | HN4 | 116.1° | 120.0° |
| C7 | N4 | HN4 | 124.3° | 120.0° |
| N4 | C7 | N5 | 117.1° | 125.9° |
| N4 | C7 | C9 | 134.2° | 125.9° |
| N5 | C7 | C9 | 108.8° | 108.2° |
| C7 | N5 | C8 | 104.8° | 109.2° |
| C7 | C9 | N6 | 109.9° | 107.0° |
| C7 | C9 | H9 | 125.4° | 126.5° |
| N5 | C8 | N6 | 110.8° | 108.5° |
| N5 | C8 | C11 | 125.9° | 125.7° |
| N6 | C8 | C11 | 123.2° | 125.8° |
| C8 | N6 | C9 | 105.7° | 107.1° |
| C8 | N6 | C10 | 126.8° | 126.5° |
| C8 | C11 | O3 | 122.4° | 120.0° |
| C8 | C11 | N7 | 111.0° | 120.0° |
| C9 | N6 | C10 | 127.5° | 126.4° |
| N6 | C9 | H9 | 124.7° | 126.5° |
| N6 | C10 | H101 | 126.8° | 109.5° |
| N6 | C10 | H102 | 106.1° | 109.4° |
| N6 | C10 | H103 | 106.1° | 109.5° |
| H101 | C10 | H102 | 106.2° | 109.5° |
| H101 | C10 | H103 | 106.1° | 109.5° |
| H102 | C10 | H103 | 103.3° | 109.5° |
| O3 | C11 | N7 | 126.6° | 120.1° |
| C11 | N7 | C12 | 119.1° | 120.0° |
| C11 | N7 | HN7 | 116.0° | 120.1° |
| C12 | N7 | HN7 | 124.9° | 119.9° |
| N7 | C12 | C13 | 121.9° | 109.5° |
| N7 | C12 | H121 | 107.8° | 109.4° |
| N7 | C12 | H122 | 107.8° | 109.4° |
| C13 | C12 | H121 | 107.8° | 109.5° |
| C13 | C12 | H122 | 107.8° | 109.5° |
| C12 | C13 | C14 | 114.6° | 109.5° |
| C12 | C13 | H131 | 110.4° | 109.5° |
| C12 | C13 | H132 | 110.4° | 109.5° |
| H121 | C12 | H122 | 102.1° | 109.5° |
| C14 | C13 | H131 | 110.3° | 109.5° |
| C14 | C13 | H132 | 110.3° | 109.5° |
| C13 | C14 | N9 | 127.6° | 120.0° |
| C13 | C14 | N8 | 116.4° | 119.9° |
| H131 | C13 | H132 | 99.9° | 109.5° |
| N9 | C14 | N8 | 116.0° | 120.0° |
| C14 | N9 | HN91 | 116.1° | 120.0° |
| C14 | N9 | HN92 | 127.6° | 120.1° |
| C14 | N8 | HN81 | 116.4° | 119.9° |
| C14 | N8 | HN82 | 109.7° | 120.1° |
| HN91 | N9 | HN92 | 116.3° | 120.0° |
| HN81 | N8 | HN82 | 109.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | H1 | 180.0° | 180.0° |
| O1 | C1 | N1 | C2 | 8.8° | 0.0° |
| O1 | C1 | N1 | HN1 | 171.2° | 179.9° |
| C1 | N1 | C2 | HN1 | 180.0° | 179.9° |
| C1 | N1 | C2 | N2 | 178.3° | 180.0° |
| C1 | N1 | C2 | C4 | 0.1° | 0.1° |
| H1 | C1 | N1 | C2 | 171.2° | 179.9° |
| H1 | C1 | N1 | HN1 | 8.8° | 0.0° |
| N1 | C2 | N2 | C4 | 178.7° | 180.0° |
| N1 | C2 | N2 | C3 | 178.1° | 179.7° |
| N1 | C2 | C4 | N3 | 177.4° | 180.0° |
| N1 | C2 | C4 | H4 | 2.7° | 0.1° |
| HN1 | N1 | C2 | N2 | 1.7° | 0.1° |
| HN1 | N1 | C2 | C4 | 179.9° | 180.0° |
| C2 | N2 | C3 | N3 | 0.3° | 0.4° |
| C2 | N2 | C3 | C6 | 179.9° | 180.0° |
| N2 | C2 | C4 | N3 | 1.2° | 0.0° |
| N2 | C2 | C4 | H4 | 178.8° | 180.0° |
| C4 | C2 | N2 | C3 | 0.5° | 0.3° |
| C2 | C4 | N3 | C3 | 1.3° | 0.3° |
| C2 | C4 | N3 | H4 | 180.0° | 180.0° |
| C2 | C4 | N3 | C5 | 179.6° | 179.9° |
| N2 | C3 | N3 | C6 | 179.8° | 179.6° |
| N2 | C3 | N3 | C4 | 1.0° | 0.4° |
| N2 | C3 | N3 | C5 | 179.0° | 179.8° |
| N2 | C3 | C6 | O2 | 168.5° | 180.0° |
| N2 | C3 | C6 | N4 | 11.6° | 0.0° |
| C3 | N3 | C4 | C5 | 178.3° | 179.8° |
| C3 | N3 | C4 | H4 | 178.6° | 179.8° |
| C3 | N3 | C5 | H51 | 179.9° | 90.2° |
| C3 | N3 | C5 | H52 | 54.7° | 29.8° |
| C3 | N3 | C5 | H53 | 54.8° | 149.7° |
| N3 | C3 | C6 | O2 | 11.2° | 0.5° |
| N3 | C3 | C6 | N4 | 168.7° | 179.5° |
| C6 | C3 | N3 | C4 | 179.2° | 180.0° |
| C6 | C3 | N3 | C5 | 1.3° | 0.2° |
| C3 | C6 | O2 | N4 | 179.9° | 180.0° |
| C3 | C6 | N4 | C7 | 179.6° | 180.0° |
| C3 | C6 | N4 | HN4 | 0.5° | 0.0° |
| C4 | N3 | C5 | H51 | 2.3° | 90.0° |
| C4 | N3 | C5 | H52 | 127.6° | 150.0° |
| C4 | N3 | C5 | H53 | 122.9° | 30.0° |
| C5 | N3 | C4 | H4 | 0.4° | 0.0° |
| N3 | C5 | H51 | H52 | 125.3° | 120.0° |
| N3 | C5 | H51 | H53 | 125.2° | 120.0° |
| N3 | C5 | H52 | H53 | 108.5° | 120.0° |
| H51 | C5 | H52 | H53 | 108.4° | 120.0° |
| O2 | C6 | N4 | C7 | 0.6° | 0.0° |
| O2 | C6 | N4 | HN4 | 179.4° | 180.0° |
| C6 | N4 | C7 | HN4 | 180.0° | 180.0° |
| C6 | N4 | C7 | N5 | 173.2° | 179.7° |
| C6 | N4 | C7 | C9 | 7.1° | 0.1° |
| N4 | C7 | N5 | C9 | 179.8° | 179.8° |
| N4 | C7 | N5 | C8 | 179.6° | 179.8° |
| N4 | C7 | C9 | N6 | 179.8° | 180.0° |
| N4 | C7 | C9 | H9 | 0.2° | 0.1° |
| HN4 | N4 | C7 | N5 | 6.8° | 0.3° |
| HN4 | N4 | C7 | C9 | 172.9° | 180.0° |
| C7 | N5 | C8 | N6 | 0.9° | 0.4° |
| C7 | N5 | C8 | C11 | 178.3° | 179.8° |
| N5 | C7 | C9 | N6 | 0.1° | 0.3° |
| N5 | C7 | C9 | H9 | 179.9° | 179.7° |
| C9 | C7 | N5 | C8 | 0.6° | 0.4° |
| C7 | C9 | N6 | C8 | 0.4° | 0.0° |
| C7 | C9 | N6 | H9 | 180.0° | 180.0° |
| C7 | C9 | N6 | C10 | 178.8° | 179.9° |
| N5 | C8 | N6 | C11 | 177.5° | 179.8° |
| N5 | C8 | N6 | C9 | 0.8° | 0.3° |
| N5 | C8 | N6 | C10 | 178.4° | 179.6° |
| N5 | C8 | C11 | O3 | 171.8° | 179.6° |
| N5 | C8 | C11 | N7 | 7.0° | 0.3° |
| C8 | N6 | C9 | C10 | 179.2° | 179.9° |
| C8 | N6 | C9 | H9 | 179.5° | 180.0° |
| C8 | N6 | C10 | H101 | 180.0° | 89.9° |
| C8 | N6 | C10 | H102 | 54.7° | 30.1° |
| C8 | N6 | C10 | H103 | 54.7° | 150.0° |
| N6 | C8 | C11 | O3 | 5.3° | 0.1° |
| N6 | C8 | C11 | N7 | 175.9° | 180.0° |
| C11 | C8 | N6 | C9 | 178.3° | 180.0° |
| C11 | C8 | N6 | C10 | 0.9° | 0.1° |
| C8 | C11 | O3 | N7 | 178.6° | 179.9° |
| C8 | C11 | N7 | C12 | 177.4° | 180.0° |
| C8 | C11 | N7 | HN7 | 2.6° | 0.0° |
| C9 | N6 | C10 | H101 | 1.0° | 90.0° |
| C9 | N6 | C10 | H102 | 124.4° | 150.0° |
| C9 | N6 | C10 | H103 | 126.2° | 30.1° |
| C10 | N6 | C9 | H9 | 1.2° | 0.1° |
| N6 | C10 | H101 | H102 | 125.3° | 119.9° |
| N6 | C10 | H101 | H103 | 125.2° | 120.0° |
| N6 | C10 | H102 | H103 | 111.4° | 119.9° |
| H101 | C10 | H102 | H103 | 111.5° | 120.1° |
| O3 | C11 | N7 | C12 | 1.4° | 0.1° |
| O3 | C11 | N7 | HN7 | 178.6° | 179.9° |
| C11 | N7 | C12 | HN7 | 180.0° | 180.0° |
| C11 | N7 | C12 | C13 | 86.8° | 180.0° |
| C11 | N7 | C12 | H121 | 38.4° | 59.9° |
| C11 | N7 | C12 | H122 | 148.0° | 60.0° |
| N7 | C12 | C13 | H121 | 125.2° | 120.0° |
| N7 | C12 | C13 | H122 | 125.2° | 119.9° |
| N7 | C12 | H121 | H122 | 113.4° | 119.9° |
| N7 | C12 | C13 | C14 | 174.0° | 180.0° |
| N7 | C12 | C13 | H131 | 60.7° | 60.0° |
| N7 | C12 | C13 | H132 | 48.7° | 60.0° |
| HN7 | N7 | C12 | C13 | 93.1° | 0.0° |
| HN7 | N7 | C12 | H121 | 141.6° | 120.1° |
| HN7 | N7 | C12 | H122 | 32.1° | 120.0° |
| C13 | C12 | H121 | H122 | 113.3° | 120.1° |
| C12 | C13 | C14 | H131 | 125.2° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 116.2° | 120.0° |
| C12 | C13 | C14 | N9 | 167.0° | 90.0° |
| C12 | C13 | C14 | N8 | 15.1° | 90.0° |
| H121 | C12 | C13 | C14 | 48.8° | 60.0° |
| H121 | C12 | C13 | H131 | 174.0° | 180.0° |
| H121 | C12 | C13 | H132 | 76.5° | 60.0° |
| H122 | C12 | C13 | C14 | 60.7° | 60.0° |
| H122 | C12 | C13 | H131 | 64.5° | 60.0° |
| H122 | C12 | C13 | H132 | 174.0° | 180.0° |
| C14 | C13 | H131 | H132 | 116.2° | 120.0° |
| C13 | C14 | N9 | N8 | 177.9° | 180.0° |
| C13 | C14 | N9 | HN91 | 2.1° | 0.0° |
| C13 | C14 | N9 | HN92 | 180.0° | 180.0° |
| C13 | C14 | N8 | HN81 | 180.0° | 180.0° |
| C13 | C14 | N8 | HN82 | 54.8° | 0.0° |
| H131 | C13 | C14 | N9 | 41.8° | 30.0° |
| H131 | C13 | C14 | N8 | 140.3° | 150.0° |
| H132 | C13 | C14 | N9 | 67.6° | 150.0° |
| H132 | C13 | C14 | N8 | 110.2° | 30.0° |
| C14 | N9 | HN91 | HN92 | 178.1° | 180.0° |
| N9 | C14 | N8 | HN81 | 1.9° | 0.0° |
| N9 | C14 | N8 | HN82 | 127.1° | 180.0° |
| N8 | C14 | N9 | HN91 | 180.0° | 180.0° |
| N8 | C14 | N9 | HN92 | 2.1° | 0.0° |
| C14 | N8 | HN81 | HN82 | 125.2° | 180.0° |
