HH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C9 | sing | 1.33Å | 1.44Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.51Å | Aromatic |
| C2 | C11 | sing | 1.51Å | 1.50Å | |
| C3 | N4 | doub | 1.32Å | 1.48Å | Aromatic |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| N4 | C10 | sing | 1.33Å | 1.38Å | Aromatic |
| N5 | C6 | doub | 1.31Å | 1.39Å | Aromatic |
| N5 | C10 | sing | 1.35Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.37Å | 1.38Å | |
| C6 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N7 | C8 | sing | 1.35Å | 1.33Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | O8 | doub | 1.22Å | 1.35Å | |
| C8 | C9 | sing | 1.47Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
| C11 | O4 | sing | 1.43Å | 1.42Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| O4 | P1 | sing | 1.61Å | 1.62Å | |
| P1 | O1P | doub | 1.48Å | 1.49Å | |
| P1 | O2P | sing | 1.61Å | 1.49Å | |
| P1 | O3P | sing | 1.61Å | 1.62Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | P2 | sing | 1.61Å | 1.63Å | |
| P2 | O4P | doub | 1.48Å | 1.49Å | |
| P2 | O5P | sing | 1.61Å | 1.50Å | |
| P2 | O6P | sing | 1.61Å | 1.50Å | |
| O5P | HOP5 | sing | 0.97Å | 0.95Å | |
| O6P | HOP6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C9 | 122.5° | 119.7° |
| N1 | C2 | C3 | 121.9° | 120.5° |
| N1 | C2 | C11 | 117.4° | 119.8° |
| N1 | C9 | C8 | 123.3° | 121.8° |
| N1 | C9 | C10 | 116.7° | 120.2° |
| C3 | C2 | C11 | 120.8° | 119.8° |
| C2 | C3 | N4 | 114.8° | 120.8° |
| C2 | C3 | H31 | 122.6° | 119.6° |
| C2 | C11 | O4 | 110.1° | 109.5° |
| C2 | C11 | H111 | 109.1° | 109.5° |
| C2 | C11 | H112 | 109.3° | 109.5° |
| N4 | C3 | H31 | 122.6° | 119.6° |
| C3 | N4 | C10 | 118.5° | 119.6° |
| N4 | C10 | N5 | 117.3° | 121.5° |
| N4 | C10 | C9 | 125.6° | 119.3° |
| C6 | N5 | C10 | 119.9° | 121.7° |
| N5 | C6 | N6 | 113.3° | 118.4° |
| N5 | C6 | N7 | 122.6° | 123.1° |
| N5 | C10 | C9 | 117.1° | 119.2° |
| N6 | C6 | N7 | 124.1° | 118.5° |
| C6 | N6 | HN61 | 126.0° | 120.0° |
| C6 | N6 | HN62 | 108.1° | 119.9° |
| C6 | N7 | C8 | 118.1° | 120.4° |
| C6 | N7 | HN7 | 121.0° | 119.8° |
| HN61 | N6 | HN62 | 125.9° | 120.1° |
| C8 | N7 | HN7 | 120.9° | 119.8° |
| N7 | C8 | O8 | 118.1° | 121.2° |
| N7 | C8 | C9 | 122.3° | 117.5° |
| O8 | C8 | C9 | 119.6° | 121.2° |
| C8 | C9 | C10 | 119.9° | 118.0° |
| O4 | C11 | H111 | 109.1° | 109.4° |
| O4 | C11 | H112 | 109.2° | 109.5° |
| C11 | O4 | P1 | 123.2° | 106.9° |
| H111 | C11 | H112 | 110.0° | 109.4° |
| O4 | P1 | O1P | 109.3° | 109.5° |
| O4 | P1 | O2P | 109.1° | 109.5° |
| O4 | P1 | O3P | 104.7° | 109.5° |
| O1P | P1 | O2P | 115.3° | 109.5° |
| O1P | P1 | O3P | 109.0° | 109.5° |
| O2P | P1 | O3P | 108.9° | 109.5° |
| P1 | O2P | HOP2 | 109.5° | 106.8° |
| P1 | O3P | P2 | 130.6° | 106.8° |
| O3P | P2 | O4P | 106.3° | 109.5° |
| O3P | P2 | O5P | 105.5° | 109.5° |
| O3P | P2 | O6P | 107.6° | 109.5° |
| O4P | P2 | O5P | 111.9° | 109.4° |
| O4P | P2 | O6P | 112.6° | 109.5° |
| O5P | P2 | O6P | 112.3° | 109.5° |
| P2 | O5P | HOP5 | 109.5° | 106.8° |
| P2 | O6P | HOP6 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | C11 | 179.5° | 180.0° |
| N1 | C2 | C3 | N4 | 2.4° | 0.0° |
| N1 | C2 | C3 | H31 | 177.6° | 180.0° |
| C2 | N1 | C9 | C8 | 176.0° | 180.0° |
| C2 | N1 | C9 | C10 | 1.1° | 0.0° |
| N1 | C2 | C11 | O4 | 176.3° | 180.0° |
| N1 | C2 | C11 | H111 | 64.0° | 60.0° |
| N1 | C2 | C11 | H112 | 56.3° | 60.0° |
| C9 | N1 | C2 | C3 | 2.3° | 0.0° |
| C9 | N1 | C2 | C11 | 177.3° | 180.0° |
| N1 | C9 | C10 | N4 | 0.2° | 0.0° |
| N1 | C9 | C10 | N5 | 178.5° | 180.0° |
| N1 | C9 | C8 | N7 | 179.1° | 179.8° |
| N1 | C9 | C8 | O8 | 0.6° | 0.0° |
| N1 | C9 | C8 | C10 | 177.0° | 180.0° |
| C2 | C3 | N4 | H31 | 180.0° | 180.0° |
| C2 | C3 | N4 | C10 | 1.5° | 0.0° |
| C3 | C2 | C11 | O4 | 3.3° | 0.1° |
| C3 | C2 | C11 | H111 | 116.5° | 120.0° |
| C3 | C2 | C11 | H112 | 123.3° | 120.0° |
| C11 | C2 | C3 | N4 | 177.1° | 180.0° |
| C11 | C2 | C3 | H31 | 2.9° | 0.0° |
| C2 | C11 | O4 | H111 | 119.7° | 120.0° |
| C2 | C11 | O4 | H112 | 120.0° | 120.0° |
| C2 | C11 | H111 | H112 | 119.8° | 120.0° |
| C2 | C11 | O4 | P1 | 154.2° | 180.0° |
| C3 | N4 | C10 | N5 | 178.9° | 180.0° |
| C3 | N4 | C10 | C9 | 0.5° | 0.0° |
| H31 | C3 | N4 | C10 | 178.5° | 180.0° |
| N4 | C10 | N5 | C6 | 178.4° | 179.9° |
| N4 | C10 | N5 | C9 | 178.5° | 180.0° |
| N4 | C10 | C9 | C8 | 177.1° | 180.0° |
| N5 | C6 | N6 | N7 | 179.2° | 179.6° |
| N5 | C6 | N6 | HN61 | 0.0° | 0.0° |
| N5 | C6 | N6 | HN62 | 180.0° | 179.8° |
| N5 | C6 | N7 | C8 | 0.2° | 0.6° |
| N5 | C6 | N7 | HN7 | 179.8° | 179.9° |
| C6 | N5 | C10 | C9 | 0.1° | 0.1° |
| C10 | N5 | C6 | N6 | 179.7° | 180.0° |
| C10 | N5 | C6 | N7 | 0.5° | 0.4° |
| N5 | C10 | C9 | C8 | 1.3° | 0.1° |
| C6 | N6 | HN61 | HN62 | 180.0° | 179.8° |
| N6 | C6 | N7 | C8 | 178.9° | 179.8° |
| N6 | C6 | N7 | HN7 | 1.2° | 0.3° |
| N7 | C6 | N6 | HN61 | 179.2° | 179.6° |
| N7 | C6 | N6 | HN62 | 0.8° | 0.6° |
| C6 | N7 | C8 | HN7 | 180.0° | 179.5° |
| C6 | N7 | C8 | O8 | 177.1° | 179.7° |
| C6 | N7 | C8 | C9 | 1.5° | 0.5° |
| N7 | C8 | O8 | C9 | 178.6° | 179.9° |
| N7 | C8 | C9 | C10 | 2.1° | 0.1° |
| HN7 | N7 | C8 | O8 | 3.0° | 0.2° |
| HN7 | N7 | C8 | C9 | 178.4° | 180.0° |
| O8 | C8 | C9 | C10 | 176.4° | 180.0° |
| O4 | C11 | H111 | H112 | 119.8° | 120.0° |
| C11 | O4 | P1 | O1P | 55.7° | 60.0° |
| C11 | O4 | P1 | O2P | 177.4° | 60.0° |
| C11 | O4 | P1 | O3P | 61.0° | 180.0° |
| H111 | C11 | O4 | P1 | 34.5° | 60.0° |
| H112 | C11 | O4 | P1 | 85.8° | 60.0° |
| O4 | P1 | O1P | O2P | 123.3° | 120.0° |
| O4 | P1 | O1P | O3P | 113.9° | 120.1° |
| O4 | P1 | O2P | O3P | 113.7° | 120.0° |
| O4 | P1 | O2P | HOP2 | 4.5° | 60.0° |
| O4 | P1 | O3P | P2 | 41.9° | 180.0° |
| O1P | P1 | O2P | O3P | 122.9° | 120.0° |
| O1P | P1 | O2P | HOP2 | 118.9° | 180.0° |
| O1P | P1 | O3P | P2 | 158.7° | 60.0° |
| O2P | P1 | O3P | P2 | 74.7° | 60.0° |
| O3P | P1 | O2P | HOP2 | 118.2° | 60.0° |
| P1 | O3P | P2 | O4P | 88.8° | 60.1° |
| P1 | O3P | P2 | O5P | 152.2° | 180.0° |
| P1 | O3P | P2 | O6P | 32.1° | 60.0° |
| O3P | P2 | O4P | O5P | 114.8° | 119.9° |
| O3P | P2 | O4P | O6P | 117.6° | 120.0° |
| O3P | P2 | O5P | O6P | 116.9° | 120.0° |
| O3P | P2 | O5P | HOP5 | 83.8° | 180.0° |
| O3P | P2 | O6P | HOP6 | 109.6° | 60.1° |
| O4P | P2 | O5P | O6P | 127.8° | 120.0° |
| O4P | P2 | O5P | HOP5 | 160.9° | 60.0° |
| O4P | P2 | O6P | HOP6 | 7.2° | 179.9° |
| O5P | P2 | O6P | HOP6 | 134.7° | 59.9° |
| O6P | P2 | O5P | HOP5 | 33.1° | 60.0° |
