HAN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.46Å | Aromatic |
| N1 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| N1 | C13 | sing | 1.46Å | 1.48Å | |
| C2 | N3 | doub | 1.31Å | 1.28Å | Aromatic |
| C2 | N12 | sing | 1.38Å | 1.42Å | |
| N3 | C9 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.39Å | 1.46Å | Aromatic |
| C5 | C10 | sing | 1.51Å | 1.55Å | |
| C6 | C7 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | C11 | sing | 1.51Å | 1.54Å | |
| C7 | C8 | sing | 1.38Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C9 | C8 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å | |
| N12 | H121 | sing | 0.97Å | 1.02Å | |
| N12 | H122 | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | O18 | doub | 1.21Å | 1.26Å | |
| C17 | O19 | sing | 1.34Å | 1.27Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8 | 100.7° | 107.3° |
| C2 | N1 | C13 | 129.5° | 126.4° |
| N1 | C2 | N3 | 115.9° | 109.9° |
| N1 | C2 | N12 | 123.0° | 125.0° |
| C8 | N1 | C13 | 129.8° | 126.3° |
| N1 | C8 | C7 | 131.0° | 133.9° |
| N1 | C8 | C9 | 108.1° | 106.1° |
| N1 | C13 | C14 | 112.5° | 109.5° |
| N1 | C13 | H131 | 111.1° | 109.5° |
| N1 | C13 | H132 | 111.1° | 109.5° |
| N3 | C2 | N12 | 121.1° | 125.1° |
| C2 | N3 | C9 | 105.8° | 109.6° |
| C2 | N12 | H121 | 107.4° | 120.0° |
| C2 | N12 | H122 | 123.0° | 120.1° |
| N3 | C9 | C4 | 129.7° | 133.4° |
| N3 | C9 | C8 | 109.4° | 107.1° |
| C5 | C4 | C9 | 119.2° | 119.8° |
| C5 | C4 | H4 | 120.2° | 120.1° |
| C4 | C5 | C6 | 119.9° | 120.5° |
| C4 | C5 | C10 | 117.1° | 119.8° |
| C9 | C4 | H4 | 120.6° | 120.1° |
| C4 | C9 | C8 | 120.8° | 119.5° |
| C6 | C5 | C10 | 123.0° | 119.7° |
| C5 | C6 | C7 | 120.2° | 120.4° |
| C5 | C6 | C11 | 122.9° | 119.8° |
| C5 | C10 | H101 | 109.4° | 109.5° |
| C5 | C10 | H102 | 117.1° | 109.4° |
| C5 | C10 | H103 | 109.5° | 109.4° |
| C7 | C6 | C11 | 116.9° | 119.8° |
| C6 | C7 | C8 | 119.1° | 119.9° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C6 | C11 | H111 | 107.4° | 109.5° |
| C6 | C11 | H112 | 122.9° | 109.5° |
| C6 | C11 | H113 | 107.4° | 109.5° |
| C8 | C7 | H7 | 120.7° | 120.1° |
| C7 | C8 | C9 | 120.8° | 120.0° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 100.7° | 109.5° |
| H102 | C10 | H103 | 109.4° | 109.5° |
| H111 | C11 | H112 | 107.5° | 109.4° |
| H111 | C11 | H113 | 102.3° | 109.4° |
| H112 | C11 | H113 | 107.5° | 109.5° |
| H121 | N12 | H122 | 107.4° | 120.0° |
| C14 | C13 | H131 | 111.1° | 109.5° |
| C14 | C13 | H132 | 111.1° | 109.5° |
| C13 | C14 | C15 | 111.7° | 109.5° |
| C13 | C14 | H141 | 111.3° | 109.5° |
| C13 | C14 | H142 | 111.4° | 109.5° |
| H131 | C13 | H132 | 99.3° | 109.4° |
| C15 | C14 | H141 | 111.4° | 109.5° |
| C15 | C14 | H142 | 111.4° | 109.5° |
| C14 | C15 | C16 | 113.3° | 109.5° |
| C14 | C15 | H151 | 110.8° | 109.5° |
| C14 | C15 | H152 | 110.8° | 109.5° |
| H141 | C14 | H142 | 99.0° | 109.4° |
| C16 | C15 | H151 | 110.8° | 109.4° |
| C16 | C15 | H152 | 110.8° | 109.4° |
| C15 | C16 | C17 | 111.9° | 109.5° |
| C15 | C16 | H161 | 111.3° | 109.5° |
| C15 | C16 | H162 | 111.3° | 109.4° |
| H151 | C15 | H152 | 99.5° | 109.5° |
| C17 | C16 | H161 | 111.3° | 109.5° |
| C17 | C16 | H162 | 111.3° | 109.5° |
| C16 | C17 | O18 | 118.8° | 120.0° |
| C16 | C17 | O19 | 118.7° | 120.0° |
| H161 | C16 | H162 | 99.0° | 109.5° |
| O18 | C17 | O19 | 122.5° | 120.0° |
| C17 | O19 | H19 | 118.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C8 | C13 | 179.9° | 180.0° |
| N1 | C2 | N3 | N12 | 179.9° | 180.0° |
| N1 | C2 | N3 | C9 | 0.0° | 0.0° |
| C2 | N1 | C8 | C7 | 180.0° | 180.0° |
| C2 | N1 | C8 | C9 | 0.1° | 0.0° |
| N1 | C2 | N12 | H121 | 54.7° | 180.0° |
| N1 | C2 | N12 | H122 | 180.0° | 0.0° |
| C2 | N1 | C13 | C14 | 64.5° | 90.0° |
| C2 | N1 | C13 | H131 | 60.7° | 150.0° |
| C2 | N1 | C13 | H132 | 170.2° | 30.0° |
| C8 | N1 | C2 | N3 | 0.1° | 0.0° |
| C8 | N1 | C2 | N12 | 180.0° | 180.0° |
| N1 | C8 | C9 | N3 | 0.2° | 0.0° |
| N1 | C8 | C9 | C4 | 179.8° | 180.0° |
| N1 | C8 | C7 | C6 | 179.8° | 179.7° |
| N1 | C8 | C7 | C9 | 179.9° | 180.0° |
| N1 | C8 | C7 | H7 | 0.2° | 0.0° |
| C8 | N1 | C13 | C14 | 115.3° | 90.1° |
| C8 | N1 | C13 | H131 | 119.4° | 30.0° |
| C8 | N1 | C13 | H132 | 9.9° | 150.0° |
| C13 | N1 | C2 | N3 | 179.8° | 179.9° |
| C13 | N1 | C2 | N12 | 0.1° | 0.1° |
| C13 | N1 | C8 | C7 | 0.1° | 0.0° |
| C13 | N1 | C8 | C9 | 179.8° | 180.0° |
| N1 | C13 | C14 | H131 | 125.2° | 120.1° |
| N1 | C13 | C14 | H132 | 125.3° | 120.0° |
| N1 | C13 | H131 | H132 | 117.0° | 120.0° |
| N1 | C13 | C14 | C15 | 172.8° | 179.9° |
| N1 | C13 | C14 | H141 | 47.5° | 59.9° |
| N1 | C13 | C14 | H142 | 62.0° | 60.0° |
| C2 | N3 | C9 | C4 | 179.8° | 180.0° |
| C2 | N3 | C9 | C8 | 0.1° | 0.0° |
| N3 | C2 | N12 | H121 | 125.3° | 0.1° |
| N3 | C2 | N12 | H122 | 0.1° | 180.0° |
| N12 | C2 | N3 | C9 | 179.9° | 180.0° |
| C2 | N12 | H121 | H122 | 134.1° | 179.9° |
| N3 | C9 | C4 | C5 | 180.0° | 180.0° |
| N3 | C9 | C4 | C8 | 179.9° | 179.9° |
| N3 | C9 | C4 | H4 | 0.1° | 0.1° |
| N3 | C9 | C8 | C7 | 179.9° | 180.0° |
| C5 | C4 | C9 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C10 | 179.9° | 179.8° |
| C4 | C5 | C6 | C7 | 0.1° | 0.5° |
| C4 | C5 | C6 | C11 | 179.9° | 180.0° |
| C5 | C4 | C9 | C8 | 0.0° | 0.1° |
| C4 | C5 | C10 | H101 | 54.7° | 89.9° |
| C4 | C5 | C10 | H102 | 180.0° | 150.1° |
| C4 | C5 | C10 | H103 | 54.7° | 30.0° |
| C9 | C4 | C5 | C6 | 0.1° | 0.2° |
| C9 | C4 | C5 | C10 | 179.8° | 180.0° |
| C4 | C9 | C8 | C7 | 0.2° | 0.0° |
| H4 | C4 | C5 | C6 | 179.9° | 179.7° |
| H4 | C4 | C5 | C10 | 0.2° | 0.0° |
| H4 | C4 | C9 | C8 | 180.0° | 180.0° |
| C5 | C6 | C7 | C11 | 180.0° | 179.5° |
| C5 | C6 | C7 | C8 | 0.0° | 0.6° |
| C5 | C6 | C7 | H7 | 180.0° | 179.7° |
| C6 | C5 | C10 | H101 | 125.4° | 90.3° |
| C6 | C5 | C10 | H102 | 0.1° | 29.7° |
| C6 | C5 | C10 | H103 | 125.2° | 149.7° |
| C5 | C6 | C11 | H111 | 54.7° | 90.5° |
| C5 | C6 | C11 | H112 | 180.0° | 29.5° |
| C5 | C6 | C11 | H113 | 54.7° | 149.5° |
| C10 | C5 | C6 | C7 | 179.8° | 179.7° |
| C10 | C5 | C6 | C11 | 0.2° | 0.2° |
| C5 | C10 | H101 | H102 | 129.6° | 120.0° |
| C5 | C10 | H101 | H103 | 115.2° | 120.0° |
| C5 | C10 | H102 | H103 | 125.3° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 0.1° | 0.3° |
| C7 | C6 | C11 | H111 | 125.3° | 90.0° |
| C7 | C6 | C11 | H112 | 0.0° | 150.0° |
| C7 | C6 | C11 | H113 | 125.3° | 30.0° |
| C11 | C6 | C7 | C8 | 180.0° | 180.0° |
| C11 | C6 | C7 | H7 | 0.0° | 0.2° |
| C6 | C11 | H111 | H112 | 134.0° | 120.0° |
| C6 | C11 | H111 | H113 | 113.0° | 120.0° |
| C6 | C11 | H112 | H113 | 125.3° | 120.1° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H101 | C10 | H102 | H103 | 109.4° | 120.0° |
| H111 | C11 | H112 | H113 | 109.5° | 119.9° |
| C14 | C13 | H131 | H132 | 117.0° | 119.9° |
| C13 | C14 | C15 | H141 | 125.2° | 120.0° |
| C13 | C14 | C15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 117.3° | 119.9° |
| C13 | C14 | C15 | C16 | 125.1° | 180.0° |
| C13 | C14 | C15 | H151 | 0.2° | 60.0° |
| C13 | C14 | C15 | H152 | 109.6° | 60.0° |
| H131 | C13 | C14 | C15 | 62.0° | 60.0° |
| H131 | C13 | C14 | H141 | 172.7° | 180.0° |
| H131 | C13 | C14 | H142 | 63.3° | 60.1° |
| H132 | C13 | C14 | C15 | 47.5° | 60.0° |
| H132 | C13 | C14 | H141 | 77.7° | 60.1° |
| H132 | C13 | C14 | H142 | 172.8° | 180.0° |
| C15 | C14 | H141 | H142 | 117.3° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 116.7° | 120.0° |
| C14 | C15 | C16 | C17 | 170.2° | 180.0° |
| C14 | C15 | C16 | H161 | 44.9° | 60.0° |
| C14 | C15 | C16 | H162 | 64.5° | 60.0° |
| H141 | C14 | C15 | C16 | 109.7° | 60.0° |
| H141 | C14 | C15 | H151 | 125.1° | 180.0° |
| H141 | C14 | C15 | H152 | 15.6° | 60.0° |
| H142 | C14 | C15 | C16 | 0.2° | 60.0° |
| H142 | C14 | C15 | H151 | 125.4° | 60.0° |
| H142 | C14 | C15 | H152 | 125.1° | 180.0° |
| C16 | C15 | H151 | H152 | 116.7° | 119.9° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.2° | 119.9° |
| C15 | C16 | H161 | H162 | 117.2° | 119.9° |
| C15 | C16 | C17 | O18 | 106.6° | 0.0° |
| C15 | C16 | C17 | O19 | 72.9° | 180.0° |
| H151 | C15 | C16 | C17 | 64.5° | 60.0° |
| H151 | C15 | C16 | H161 | 170.2° | 180.0° |
| H151 | C15 | C16 | H162 | 60.7° | 60.0° |
| H152 | C15 | C16 | C17 | 45.0° | 60.0° |
| H152 | C15 | C16 | H161 | 80.3° | 60.1° |
| H152 | C15 | C16 | H162 | 170.2° | 180.0° |
| C17 | C16 | H161 | H162 | 117.2° | 120.0° |
| C16 | C17 | O18 | O19 | 179.5° | 180.0° |
| C16 | C17 | O19 | H19 | 180.0° | 180.0° |
| H161 | C16 | C17 | O18 | 18.7° | 120.0° |
| H161 | C16 | C17 | O19 | 161.8° | 60.0° |
| H162 | C16 | C17 | O18 | 128.2° | 119.9° |
| H162 | C16 | C17 | O19 | 52.4° | 60.0° |
| O18 | C17 | O19 | H19 | 0.5° | 0.0° |
