209
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.39Å | Aromatic |
| N1 | C15 | sing | 1.46Å | 1.48Å | |
| C2 | C3 | sing | 1.46Å | 1.47Å | Aromatic |
| C2 | O20 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | doub | 1.39Å | 1.32Å | Aromatic |
| C3 | N7 | sing | 1.36Å | 1.47Å | Aromatic |
| C4 | N5 | sing | 1.38Å | 1.48Å | Aromatic |
| C4 | N9 | sing | 1.36Å | 1.48Å | Aromatic |
| N5 | C6 | sing | 1.35Å | 1.40Å | Aromatic |
| N5 | C11 | sing | 1.47Å | 1.47Å | |
| C6 | O19 | doub | 1.22Å | 1.24Å | |
| N7 | C8 | doub | 1.31Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N10 | sing | 1.38Å | 1.32Å | |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| N10 | H101 | sing | 0.97Å | 1.02Å | |
| N10 | H102 | sing | 0.97Å | 1.02Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 123.7° | 120.9° |
| C2 | N1 | C15 | 118.9° | 119.6° |
| N1 | C2 | C3 | 118.2° | 118.6° |
| N1 | C2 | O20 | 126.7° | 120.7° |
| C6 | N1 | C15 | 117.4° | 119.5° |
| N1 | C6 | N5 | 116.3° | 122.2° |
| N1 | C6 | O19 | 122.2° | 118.9° |
| N1 | C15 | H151 | 118.9° | 109.5° |
| N1 | C15 | H152 | 108.8° | 109.5° |
| N1 | C15 | H153 | 108.8° | 109.4° |
| C3 | C2 | O20 | 115.1° | 120.7° |
| C2 | C3 | C4 | 120.6° | 118.3° |
| C2 | C3 | N7 | 130.6° | 134.2° |
| C4 | C3 | N7 | 108.9° | 107.5° |
| C3 | C4 | N5 | 119.0° | 119.2° |
| C3 | C4 | N9 | 107.9° | 106.6° |
| C3 | N7 | C8 | 105.8° | 109.0° |
| N5 | C4 | N9 | 133.1° | 134.2° |
| C4 | N5 | C6 | 122.1° | 120.8° |
| C4 | N5 | C11 | 119.9° | 119.7° |
| C4 | N9 | C8 | 105.2° | 107.6° |
| C4 | N9 | HN9 | 130.3° | 126.2° |
| C6 | N5 | C11 | 118.0° | 119.6° |
| N5 | C6 | O19 | 121.5° | 118.9° |
| N5 | C11 | H111 | 119.9° | 109.5° |
| N5 | C11 | H112 | 108.5° | 109.5° |
| N5 | C11 | H113 | 108.4° | 109.4° |
| N7 | C8 | N9 | 112.2° | 109.4° |
| N7 | C8 | N10 | 124.4° | 125.3° |
| N9 | C8 | N10 | 123.4° | 125.3° |
| C8 | N9 | HN9 | 124.5° | 126.2° |
| C8 | N10 | H101 | 124.4° | 120.0° |
| C8 | N10 | H102 | 106.9° | 120.0° |
| H101 | N10 | H102 | 106.9° | 120.0° |
| H111 | C11 | H112 | 108.5° | 109.5° |
| H111 | C11 | H113 | 108.4° | 109.4° |
| H112 | C11 | H113 | 101.5° | 109.5° |
| H151 | C15 | H152 | 108.8° | 109.5° |
| H151 | C15 | H153 | 108.9° | 109.4° |
| H152 | C15 | H153 | 101.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C15 | 180.0° | 179.8° |
| N1 | C2 | C3 | O20 | 179.7° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.4° |
| N1 | C2 | C3 | N7 | 179.6° | 179.9° |
| C2 | N1 | C6 | N5 | 0.0° | 0.3° |
| C2 | N1 | C6 | O19 | 179.9° | 179.8° |
| C2 | N1 | C15 | H151 | 179.9° | 120.2° |
| C2 | N1 | C15 | H152 | 54.8° | 0.1° |
| C2 | N1 | C15 | H153 | 54.7° | 119.9° |
| C6 | N1 | C2 | C3 | 0.0° | 0.4° |
| C6 | N1 | C2 | O20 | 179.7° | 179.6° |
| N1 | C6 | N5 | C4 | 0.1° | 0.1° |
| N1 | C6 | N5 | O19 | 179.9° | 179.9° |
| N1 | C6 | N5 | C11 | 179.7° | 180.0° |
| C6 | N1 | C15 | H151 | 0.1° | 59.9° |
| C6 | N1 | C15 | H152 | 125.3° | 180.0° |
| C6 | N1 | C15 | H153 | 125.3° | 60.0° |
| C15 | N1 | C2 | C3 | 180.0° | 179.8° |
| C15 | N1 | C2 | O20 | 0.4° | 0.2° |
| C15 | N1 | C6 | N5 | 180.0° | 179.9° |
| C15 | N1 | C6 | O19 | 0.1° | 0.0° |
| N1 | C15 | H151 | H152 | 125.2° | 120.1° |
| N1 | C15 | H151 | H153 | 125.3° | 120.0° |
| N1 | C15 | H152 | H153 | 114.6° | 120.0° |
| C2 | C3 | C4 | N7 | 179.6° | 179.8° |
| C2 | C3 | C4 | N5 | 0.2° | 0.2° |
| C2 | C3 | C4 | N9 | 179.6° | 179.8° |
| C2 | C3 | N7 | C8 | 179.7° | 179.8° |
| O20 | C2 | C3 | C4 | 179.6° | 179.6° |
| O20 | C2 | C3 | N7 | 0.1° | 0.1° |
| C3 | C4 | N5 | N9 | 179.7° | 179.9° |
| C3 | C4 | N5 | C6 | 0.2° | 0.1° |
| C3 | C4 | N5 | C11 | 179.8° | 180.0° |
| C4 | C3 | N7 | C8 | 0.1° | 0.0° |
| C3 | C4 | N9 | C8 | 0.1° | 0.0° |
| C3 | C4 | N9 | HN9 | 179.9° | 179.9° |
| N7 | C3 | C4 | N5 | 179.8° | 180.0° |
| N7 | C3 | C4 | N9 | 0.0° | 0.1° |
| C3 | N7 | C8 | N9 | 0.2° | 0.0° |
| C3 | N7 | C8 | N10 | 179.3° | 180.0° |
| C4 | N5 | C6 | C11 | 179.7° | 179.9° |
| C4 | N5 | C6 | O19 | 179.8° | 180.0° |
| N5 | C4 | N9 | C8 | 179.9° | 180.0° |
| N5 | C4 | N9 | HN9 | 0.1° | 0.1° |
| C4 | N5 | C11 | H111 | 179.9° | 180.0° |
| C4 | N5 | C11 | H112 | 54.7° | 59.9° |
| C4 | N5 | C11 | H113 | 54.8° | 60.1° |
| N9 | C4 | N5 | C6 | 179.5° | 180.0° |
| N9 | C4 | N5 | C11 | 0.1° | 0.1° |
| C4 | N9 | C8 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | HN9 | 180.0° | 179.9° |
| C4 | N9 | C8 | N10 | 179.3° | 179.9° |
| C6 | N5 | C11 | H111 | 0.3° | 0.1° |
| C6 | N5 | C11 | H112 | 125.6° | 119.9° |
| C6 | N5 | C11 | H113 | 124.9° | 120.0° |
| C11 | N5 | C6 | O19 | 0.2° | 0.1° |
| N5 | C11 | H111 | H112 | 125.3° | 120.0° |
| N5 | C11 | H111 | H113 | 125.2° | 120.0° |
| N5 | C11 | H112 | H113 | 114.1° | 120.0° |
| N7 | C8 | N9 | N10 | 179.1° | 180.0° |
| N7 | C8 | N9 | HN9 | 179.8° | 179.9° |
| N7 | C8 | N10 | H101 | 180.0° | 0.1° |
| N7 | C8 | N10 | H102 | 54.7° | 180.0° |
| N9 | C8 | N10 | H101 | 1.0° | 180.0° |
| N9 | C8 | N10 | H102 | 124.2° | 0.0° |
| N10 | C8 | N9 | HN9 | 0.7° | 0.0° |
| C8 | N10 | H101 | H102 | 125.2° | 180.0° |
| H111 | C11 | H112 | H113 | 114.1° | 119.9° |
| H151 | C15 | H152 | H153 | 114.6° | 119.9° |
