H2N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O7 | sing | 1.43Å | 1.44Å | |
| O7 | C2 | sing | 1.36Å | 1.38Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.36Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.48Å | |
| C4 | F1 | sing | 1.35Å | 1.32Å | |
| O6 | C7 | sing | 1.36Å | 1.34Å | |
| O6 | C9 | sing | 1.34Å | 1.35Å | |
| C7 | C8 | doub | 1.34Å | 1.38Å | |
| O1 | C9 | doub | 1.22Å | 1.29Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| C8 | N1 | sing | 1.39Å | 1.35Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| O2 | S1 | doub | 1.42Å | 1.44Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | S1 | sing | 1.81Å | 1.67Å | |
| S1 | C12 | sing | 1.81Å | 1.74Å | |
| S1 | O3 | doub | 1.42Å | 1.42Å | |
| C15 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C13 | O4 | doub | 1.21Å | 1.24Å | |
| C13 | N2 | sing | 1.35Å | 1.26Å | |
| N2 | O5 | sing | 1.42Å | 1.36Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O7 | C2 | 119.8° | 117.0° |
| O7 | C16 | H163 | 109.5° | 109.5° |
| O7 | C16 | H162 | 109.5° | 109.5° |
| O7 | C16 | H161 | 109.5° | 109.4° |
| O7 | C2 | C1 | 124.8° | 119.9° |
| O7 | C2 | C3 | 116.4° | 119.9° |
| C2 | C1 | C6 | 120.4° | 120.1° |
| C1 | C2 | C3 | 118.8° | 120.2° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C1 | C6 | C5 | 119.4° | 120.0° |
| C1 | C6 | H6 | 120.3° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | H3 | 119.4° | 120.0° |
| C6 | C5 | C4 | 118.8° | 119.8° |
| C6 | C5 | C7 | 119.2° | 120.1° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| C3 | C4 | C5 | 121.5° | 119.9° |
| C3 | C4 | F1 | 117.4° | 120.1° |
| C4 | C3 | H3 | 119.4° | 120.0° |
| C4 | C5 | C7 | 122.0° | 120.1° |
| C5 | C4 | F1 | 121.1° | 120.0° |
| C5 | C7 | O6 | 117.9° | 125.9° |
| C5 | C7 | C8 | 132.3° | 125.9° |
| C7 | O6 | C9 | 103.1° | 108.7° |
| O6 | C7 | C8 | 109.8° | 108.2° |
| O6 | C9 | O1 | 118.0° | 125.8° |
| O6 | C9 | N1 | 114.3° | 108.3° |
| C7 | C8 | N1 | 108.2° | 107.4° |
| C7 | C8 | H8 | 125.9° | 126.3° |
| O1 | C9 | N1 | 127.6° | 125.9° |
| C9 | N1 | C8 | 104.6° | 107.5° |
| C9 | N1 | C10 | 128.8° | 126.3° |
| C8 | N1 | C10 | 126.4° | 126.2° |
| N1 | C8 | H8 | 125.9° | 126.3° |
| N1 | C10 | C11 | 105.5° | 109.5° |
| N1 | C10 | H102 | 110.5° | 109.5° |
| N1 | C10 | H101 | 110.5° | 109.5° |
| O2 | S1 | C14 | 109.5° | 108.6° |
| O2 | S1 | C12 | 108.6° | 108.5° |
| O2 | S1 | O3 | 112.4° | 119.2° |
| C10 | C11 | C12 | 117.0° | 109.5° |
| C11 | C10 | H102 | 110.4° | 109.5° |
| C11 | C10 | H101 | 110.5° | 109.5° |
| C10 | C11 | H112 | 107.5° | 109.4° |
| C10 | C11 | H111 | 107.5° | 109.5° |
| C11 | C12 | S1 | 109.8° | 109.5° |
| C11 | C12 | C15 | 111.3° | 109.5° |
| C11 | C12 | C13 | 109.5° | 109.4° |
| C12 | C11 | H112 | 107.6° | 109.5° |
| C12 | C11 | H111 | 107.5° | 109.5° |
| C14 | S1 | C12 | 108.5° | 101.9° |
| C14 | S1 | O3 | 110.2° | 108.6° |
| S1 | C14 | H141 | 109.5° | 109.5° |
| S1 | C14 | H143 | 109.5° | 109.5° |
| S1 | C14 | H142 | 109.4° | 109.5° |
| C12 | S1 | O3 | 107.5° | 108.6° |
| S1 | C12 | C15 | 107.0° | 109.5° |
| S1 | C12 | C13 | 110.1° | 109.5° |
| C15 | C12 | C13 | 109.1° | 109.4° |
| C12 | C15 | H152 | 109.5° | 109.4° |
| C12 | C15 | H151 | 109.5° | 109.5° |
| C12 | C15 | H153 | 109.5° | 109.5° |
| C12 | C13 | O4 | 128.6° | 120.1° |
| C12 | C13 | N2 | 113.9° | 119.9° |
| O4 | C13 | N2 | 117.5° | 120.0° |
| C13 | N2 | O5 | 114.1° | 120.0° |
| C13 | N2 | H2 | 123.0° | 120.1° |
| O5 | N2 | H2 | 123.0° | 120.0° |
| N2 | O5 | HO5 | 109.5° | 114.0° |
| H102 | C10 | H101 | 109.4° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.4° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.4° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.5° | 109.5° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O7 | C2 | C1 | 13.3° | 180.0° |
| C16 | O7 | C2 | C3 | 166.6° | 0.3° |
| O7 | C16 | H163 | H162 | 120.0° | 120.0° |
| O7 | C16 | H163 | H161 | 120.0° | 120.0° |
| O7 | C16 | H162 | H161 | 120.0° | 120.0° |
| O7 | C2 | C1 | C3 | 179.9° | 179.8° |
| O7 | C2 | C1 | C6 | 179.8° | 180.0° |
| O7 | C2 | C3 | C4 | 180.0° | 179.7° |
| C2 | O7 | C16 | H163 | 180.0° | 60.0° |
| C2 | O7 | C16 | H162 | 60.0° | 60.0° |
| C2 | O7 | C16 | H161 | 60.0° | 180.0° |
| O7 | C2 | C1 | H1 | 0.2° | 0.3° |
| O7 | C2 | C3 | H3 | 0.0° | 0.3° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.2° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | C7 | 179.0° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 0.3° | 0.6° |
| C2 | C3 | C4 | F1 | 178.4° | 179.5° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.3° |
| C6 | C5 | C4 | C7 | 179.0° | 179.7° |
| C6 | C5 | C4 | F1 | 178.3° | 179.7° |
| C6 | C5 | C7 | O6 | 9.8° | 0.3° |
| C6 | C5 | C7 | C8 | 173.1° | 179.7° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C3 | C4 | C5 | F1 | 178.6° | 179.9° |
| C3 | C4 | C5 | C7 | 178.7° | 180.0° |
| C4 | C5 | C7 | O6 | 169.2° | 180.0° |
| C4 | C5 | C7 | C8 | 7.9° | 0.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| C7 | C5 | C4 | F1 | 2.7° | 0.1° |
| C5 | C7 | O6 | C8 | 177.8° | 180.0° |
| C5 | C7 | O6 | C9 | 176.3° | 180.0° |
| C5 | C7 | C8 | N1 | 176.2° | 179.9° |
| C5 | C7 | C8 | H8 | 3.8° | 0.2° |
| C7 | C5 | C6 | H6 | 1.0° | 0.2° |
| F1 | C4 | C3 | H3 | 1.6° | 0.1° |
| C7 | O6 | C9 | O1 | 178.3° | 179.9° |
| C7 | O6 | C9 | N1 | 1.3° | 0.1° |
| O6 | C7 | C8 | N1 | 1.1° | 0.2° |
| O6 | C7 | C8 | H8 | 178.8° | 179.8° |
| C9 | O6 | C7 | C8 | 1.4° | 0.0° |
| O6 | C9 | O1 | N1 | 176.5° | 180.0° |
| O6 | C9 | N1 | C8 | 0.7° | 0.2° |
| O6 | C9 | N1 | C10 | 175.5° | 180.0° |
| C7 | C8 | N1 | C9 | 0.3° | 0.2° |
| C7 | C8 | N1 | H8 | 180.0° | 180.0° |
| C7 | C8 | N1 | C10 | 176.6° | 180.0° |
| O1 | C9 | N1 | C8 | 177.3° | 179.8° |
| O1 | C9 | N1 | C10 | 1.2° | 0.0° |
| C9 | N1 | C8 | C10 | 176.3° | 179.8° |
| C9 | N1 | C10 | C11 | 95.3° | 90.2° |
| C9 | N1 | C10 | H102 | 145.4° | 149.7° |
| C9 | N1 | C10 | H101 | 24.1° | 29.8° |
| C9 | N1 | C8 | H8 | 179.7° | 179.8° |
| C8 | N1 | C10 | C11 | 80.1° | 90.0° |
| C8 | N1 | C10 | H102 | 39.3° | 30.1° |
| C8 | N1 | C10 | H101 | 160.5° | 150.0° |
| N1 | C10 | C11 | H102 | 119.4° | 120.0° |
| N1 | C10 | C11 | H101 | 119.4° | 120.0° |
| N1 | C10 | C11 | C12 | 170.4° | 174.4° |
| N1 | C10 | H102 | H101 | 121.8° | 120.0° |
| N1 | C10 | C11 | H112 | 49.3° | 65.6° |
| N1 | C10 | C11 | H111 | 68.5° | 54.4° |
| C10 | N1 | C8 | H8 | 3.4° | 0.0° |
| O2 | S1 | C12 | C11 | 66.0° | 170.9° |
| O2 | S1 | C14 | C12 | 118.4° | 114.4° |
| O2 | S1 | C14 | O3 | 124.2° | 131.1° |
| O2 | S1 | C12 | O3 | 121.9° | 131.0° |
| O2 | S1 | C12 | C15 | 55.0° | 69.0° |
| O2 | S1 | C12 | C13 | 173.4° | 51.0° |
| O2 | S1 | C14 | H141 | 180.0° | 54.5° |
| O2 | S1 | C14 | H143 | 60.0° | 65.6° |
| O2 | S1 | C14 | H142 | 60.0° | 174.4° |
| C10 | C11 | C12 | H112 | 121.1° | 120.0° |
| C10 | C11 | C12 | H111 | 121.1° | 120.0° |
| C10 | C11 | C12 | S1 | 175.9° | 65.6° |
| C10 | C11 | C12 | C15 | 65.8° | 54.4° |
| C10 | C11 | C12 | C13 | 54.9° | 174.4° |
| C11 | C10 | H102 | H101 | 121.8° | 120.0° |
| C10 | C11 | H112 | H111 | 116.5° | 120.0° |
| C11 | C12 | S1 | C14 | 53.0° | 56.5° |
| C11 | C12 | S1 | C15 | 121.0° | 120.0° |
| C11 | C12 | S1 | C13 | 120.6° | 120.0° |
| C11 | C12 | S1 | O3 | 172.1° | 58.1° |
| C11 | C12 | C15 | C13 | 120.9° | 119.9° |
| C11 | C12 | C13 | O4 | 55.8° | 15.0° |
| C11 | C12 | C13 | N2 | 123.1° | 165.0° |
| C12 | C11 | C10 | H102 | 70.2° | 65.5° |
| C12 | C11 | C10 | H101 | 51.0° | 54.4° |
| C12 | C11 | H112 | H111 | 116.6° | 120.0° |
| C11 | C12 | C15 | H152 | 180.0° | 60.1° |
| C11 | C12 | C15 | H151 | 60.0° | 180.0° |
| C11 | C12 | C15 | H153 | 60.0° | 59.9° |
| C14 | S1 | C12 | O3 | 119.2° | 114.5° |
| C14 | S1 | C12 | C15 | 173.9° | 176.5° |
| C14 | S1 | C12 | C13 | 67.6° | 63.5° |
| S1 | C14 | H141 | H143 | 120.0° | 120.0° |
| S1 | C14 | H141 | H142 | 120.0° | 120.0° |
| S1 | C14 | H143 | H142 | 120.0° | 120.0° |
| S1 | C12 | C15 | C13 | 119.1° | 120.1° |
| S1 | C12 | C13 | O4 | 65.0° | 135.0° |
| S1 | C12 | C13 | N2 | 116.0° | 45.0° |
| S1 | C12 | C11 | H112 | 63.0° | 54.3° |
| S1 | C12 | C11 | H111 | 54.8° | 174.4° |
| C12 | S1 | C14 | H141 | 61.6° | 60.0° |
| C12 | S1 | C14 | H143 | 178.4° | 180.0° |
| C12 | S1 | C14 | H142 | 58.4° | 60.0° |
| S1 | C12 | C15 | H152 | 60.0° | 60.0° |
| S1 | C12 | C15 | H151 | 180.0° | 60.0° |
| S1 | C12 | C15 | H153 | 60.0° | 179.9° |
| O3 | S1 | C12 | C15 | 66.9° | 62.0° |
| O3 | S1 | C12 | C13 | 51.5° | 178.0° |
| O3 | S1 | C14 | H141 | 55.9° | 174.5° |
| O3 | S1 | C14 | H143 | 64.2° | 65.5° |
| O3 | S1 | C14 | H142 | 175.8° | 54.5° |
| C15 | C12 | C13 | O4 | 177.8° | 105.0° |
| C15 | C12 | C13 | N2 | 1.1° | 75.1° |
| C15 | C12 | C11 | H112 | 55.3° | 174.4° |
| C15 | C12 | C11 | H111 | 173.2° | 65.6° |
| C12 | C15 | H152 | H151 | 120.0° | 120.0° |
| C12 | C15 | H152 | H153 | 120.0° | 120.0° |
| C12 | C15 | H151 | H153 | 120.0° | 120.1° |
| C12 | C13 | O4 | N2 | 178.9° | 180.0° |
| C12 | C13 | N2 | O5 | 178.1° | 180.0° |
| C13 | C12 | C11 | H112 | 176.0° | 65.7° |
| C13 | C12 | C11 | H111 | 66.1° | 54.3° |
| C13 | C12 | C15 | H152 | 59.1° | 179.9° |
| C13 | C12 | C15 | H151 | 60.9° | 60.1° |
| C13 | C12 | C15 | H153 | 179.1° | 60.0° |
| C12 | C13 | N2 | H2 | 1.9° | 0.1° |
| O4 | C13 | N2 | O5 | 2.8° | 0.0° |
| O4 | C13 | N2 | H2 | 177.2° | 180.0° |
| C13 | N2 | O5 | H2 | 180.0° | 179.9° |
| C13 | N2 | O5 | HO5 | 1.5° | 180.0° |
| H102 | C10 | C11 | H112 | 168.7° | 54.4° |
| H102 | C10 | C11 | H111 | 50.9° | 174.5° |
| H101 | C10 | C11 | H112 | 70.1° | 174.4° |
| H101 | C10 | C11 | H111 | 172.1° | 65.6° |
| H141 | C14 | H143 | H142 | 120.0° | 120.0° |
| H152 | C15 | H151 | H153 | 120.0° | 120.0° |
| H163 | C16 | H162 | H161 | 120.0° | 120.0° |
| H2 | N2 | O5 | HO5 | 178.5° | 0.1° |
| H6 | C6 | C1 | H1 | 0.2° | 0.2° |
