OGM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C14 | sing | 1.34Å | 1.31Å | Aromatic |
| N15 | C09 | doub | 1.30Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C14 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C09 | N10 | sing | 1.35Å | 1.35Å | Aromatic |
| N04 | C05 | sing | 1.47Å | 1.44Å | |
| N04 | C03 | sing | 1.35Å | 1.45Å | |
| O13 | C12 | sing | 1.43Å | 1.41Å | |
| C11 | N10 | sing | 1.37Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| O02 | C03 | sing | 1.35Å | 1.42Å | |
| O02 | C01 | sing | 1.45Å | 1.40Å | |
| C03 | O16 | doub | 1.22Å | 1.18Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N04 | H4 | sing | 0.97Å | 1.00Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| O13 | H16 | sing | 0.97Å | 0.95Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N15 | C09 | 109.3° | 109.3° |
| N15 | C14 | C11 | 107.7° | 108.0° |
| N15 | C14 | H17 | 126.2° | 126.0° |
| N15 | C09 | C08 | 127.7° | 125.6° |
| N15 | C09 | N10 | 106.8° | 108.7° |
| C06 | C07 | C08 | 113.3° | 109.5° |
| C07 | C06 | C05 | 113.2° | 109.4° |
| C07 | C06 | H7 | 108.5° | 109.5° |
| C07 | C06 | H8 | 108.5° | 109.5° |
| C06 | C07 | H9 | 108.5° | 109.5° |
| C06 | C07 | H10 | 108.5° | 109.5° |
| C07 | C08 | C09 | 113.3° | 109.5° |
| C08 | C07 | H9 | 108.5° | 109.5° |
| C08 | C07 | H10 | 108.5° | 109.5° |
| C07 | C08 | H11 | 108.5° | 109.5° |
| C07 | C08 | H12 | 108.5° | 109.5° |
| C14 | C11 | N10 | 107.5° | 106.8° |
| C14 | C11 | C12 | 127.9° | 126.5° |
| C11 | C14 | H17 | 126.1° | 126.0° |
| C06 | C05 | N04 | 109.4° | 109.4° |
| C06 | C05 | H5 | 109.5° | 109.5° |
| C06 | C05 | H6 | 109.5° | 109.5° |
| C05 | C06 | H7 | 108.5° | 109.5° |
| C05 | C06 | H8 | 108.5° | 109.5° |
| C08 | C09 | N10 | 125.5° | 125.7° |
| C09 | C08 | H11 | 108.5° | 109.5° |
| C09 | C08 | H12 | 108.5° | 109.5° |
| C09 | N10 | C11 | 108.7° | 107.2° |
| C09 | N10 | H13 | 125.7° | 126.4° |
| C05 | N04 | C03 | 121.5° | 120.0° |
| C05 | N04 | H4 | 119.2° | 120.0° |
| N04 | C05 | H5 | 109.5° | 109.5° |
| N04 | C05 | H6 | 109.5° | 109.5° |
| N04 | C03 | O02 | 118.8° | 120.0° |
| N04 | C03 | O16 | 120.2° | 120.0° |
| C03 | N04 | H4 | 119.2° | 120.0° |
| O13 | C12 | C11 | 110.6° | 109.5° |
| O13 | C12 | H14 | 109.2° | 109.5° |
| O13 | C12 | H15 | 109.2° | 109.4° |
| C12 | O13 | H16 | 109.5° | 114.0° |
| N10 | C11 | C12 | 124.6° | 126.6° |
| C11 | N10 | H13 | 125.7° | 126.4° |
| C11 | C12 | H14 | 109.2° | 109.5° |
| C11 | C12 | H15 | 109.2° | 109.5° |
| C03 | O02 | C01 | 114.4° | 117.0° |
| O02 | C03 | O16 | 121.0° | 120.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H7 | C06 | H8 | 109.5° | 109.5° |
| H9 | C07 | H10 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C14 | C11 | H17 | 180.0° | 179.8° |
| C14 | N15 | C09 | C08 | 179.3° | 179.9° |
| C14 | N15 | C09 | N10 | 0.4° | 0.3° |
| N15 | C14 | C11 | N10 | 0.2° | 0.2° |
| N15 | C14 | C11 | C12 | 179.3° | 179.7° |
| N15 | C09 | C08 | C07 | 36.7° | 55.3° |
| C09 | N15 | C14 | C11 | 0.2° | 0.3° |
| N15 | C09 | C08 | N10 | 179.6° | 179.7° |
| N15 | C09 | N10 | C11 | 0.5° | 0.2° |
| N15 | C09 | C08 | H11 | 83.9° | 175.3° |
| N15 | C09 | C08 | H12 | 157.3° | 64.7° |
| N15 | C09 | N10 | H13 | 179.5° | 179.8° |
| C09 | N15 | C14 | H17 | 179.8° | 179.8° |
| C06 | C07 | C08 | H9 | 120.6° | 120.0° |
| C06 | C07 | C08 | H10 | 120.6° | 120.0° |
| C07 | C06 | C05 | H7 | 120.5° | 120.0° |
| C07 | C06 | C05 | H8 | 120.5° | 120.0° |
| C06 | C07 | C08 | C09 | 174.8° | 180.0° |
| C07 | C06 | C05 | N04 | 69.2° | 180.0° |
| C07 | C06 | C05 | H5 | 50.8° | 60.0° |
| C07 | C06 | C05 | H6 | 170.8° | 60.1° |
| C07 | C06 | H7 | H8 | 118.3° | 120.0° |
| C06 | C07 | H9 | H10 | 118.2° | 120.0° |
| C06 | C07 | C08 | H11 | 54.2° | 60.0° |
| C06 | C07 | C08 | H12 | 64.7° | 60.0° |
| C08 | C07 | C06 | C05 | 72.5° | 180.0° |
| C07 | C08 | C09 | H11 | 120.6° | 120.0° |
| C07 | C08 | C09 | H12 | 120.5° | 120.0° |
| C07 | C08 | C09 | N10 | 142.9° | 125.0° |
| C08 | C07 | C06 | H7 | 48.0° | 60.0° |
| C08 | C07 | C06 | H8 | 167.0° | 60.0° |
| C08 | C07 | H9 | H10 | 118.2° | 120.0° |
| C07 | C08 | H11 | H12 | 118.3° | 120.0° |
| C14 | C11 | N10 | C09 | 0.4° | 0.0° |
| C14 | C11 | C12 | O13 | 5.4° | 0.1° |
| C14 | C11 | N10 | C12 | 179.2° | 179.9° |
| C14 | C11 | N10 | H13 | 179.6° | 180.0° |
| C14 | C11 | C12 | H14 | 125.6° | 120.1° |
| C14 | C11 | C12 | H15 | 114.8° | 120.0° |
| C06 | C05 | N04 | H5 | 120.0° | 120.0° |
| C06 | C05 | N04 | H6 | 120.0° | 119.9° |
| C06 | C05 | N04 | C03 | 113.7° | 180.0° |
| C06 | C05 | N04 | H4 | 66.3° | 0.0° |
| C06 | C05 | H5 | H6 | 120.0° | 120.0° |
| C05 | C06 | H7 | H8 | 118.3° | 120.0° |
| C05 | C06 | C07 | H9 | 48.0° | 60.0° |
| C05 | C06 | C07 | H10 | 166.9° | 60.0° |
| C08 | C09 | N10 | C11 | 179.2° | 180.0° |
| C09 | C08 | C07 | H9 | 64.7° | 60.0° |
| C09 | C08 | C07 | H10 | 54.2° | 60.0° |
| C09 | C08 | H11 | H12 | 118.2° | 120.0° |
| C08 | C09 | N10 | H13 | 0.8° | 0.0° |
| C09 | N10 | C11 | H13 | 180.0° | 180.0° |
| C09 | N10 | C11 | C12 | 179.6° | 179.9° |
| N10 | C09 | C08 | H11 | 96.5° | 5.0° |
| N10 | C09 | C08 | H12 | 22.4° | 115.0° |
| C05 | N04 | C03 | H4 | 180.0° | 180.0° |
| C05 | N04 | C03 | O02 | 172.7° | 180.0° |
| C05 | N04 | C03 | O16 | 6.7° | 0.0° |
| N04 | C05 | H5 | H6 | 120.0° | 120.0° |
| N04 | C05 | C06 | H7 | 170.3° | 60.0° |
| N04 | C05 | C06 | H8 | 51.3° | 60.0° |
| N04 | C03 | O02 | O16 | 179.5° | 180.0° |
| N04 | C03 | O02 | C01 | 158.9° | 180.0° |
| C03 | N04 | C05 | H5 | 6.3° | 60.0° |
| C03 | N04 | C05 | H6 | 126.3° | 60.0° |
| O13 | C12 | C11 | N10 | 175.6° | 180.0° |
| O13 | C12 | C11 | H14 | 120.2° | 120.0° |
| O13 | C12 | C11 | H15 | 120.2° | 120.0° |
| O13 | C12 | H14 | H15 | 119.5° | 119.9° |
| N10 | C11 | C12 | H14 | 55.4° | 60.0° |
| N10 | C11 | C12 | H15 | 64.3° | 59.9° |
| N10 | C11 | C14 | H17 | 179.8° | 180.0° |
| C12 | C11 | N10 | H13 | 0.4° | 0.1° |
| C11 | C12 | H14 | H15 | 119.5° | 120.0° |
| C11 | C12 | O13 | H16 | 180.0° | 179.9° |
| C12 | C11 | C14 | H17 | 0.7° | 0.1° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.1° |
| O02 | C03 | N04 | H4 | 7.3° | 0.0° |
| C01 | O02 | C03 | O16 | 21.7° | 0.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 119.9° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O16 | C03 | N04 | H4 | 173.3° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | N04 | C05 | H5 | 173.7° | 120.0° |
| H4 | N04 | C05 | H6 | 53.7° | 120.0° |
| H5 | C05 | C06 | H7 | 69.7° | 180.0° |
| H5 | C05 | C06 | H8 | 171.3° | 60.0° |
| H6 | C05 | C06 | H7 | 50.3° | 59.9° |
| H6 | C05 | C06 | H8 | 68.6° | 180.0° |
| H7 | C06 | C07 | H9 | 168.6° | 180.0° |
| H7 | C06 | C07 | H10 | 72.6° | 60.0° |
| H8 | C06 | C07 | H9 | 72.5° | 60.0° |
| H8 | C06 | C07 | H10 | 46.4° | 180.0° |
| H9 | C07 | C08 | H11 | 174.8° | 180.0° |
| H9 | C07 | C08 | H12 | 55.9° | 60.0° |
| H10 | C07 | C08 | H11 | 66.4° | 60.0° |
| H10 | C07 | C08 | H12 | 174.7° | 180.0° |
| H14 | C12 | O13 | H16 | 59.8° | 59.9° |
| H15 | C12 | O13 | H16 | 59.8° | 60.0° |
