I32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C11 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C12 | sing | 1.47Å | 1.49Å | |
| C12 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C9 | O1 | sing | 1.43Å | 1.48Å | |
| O1 | C4 | sing | 1.36Å | 1.34Å | |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | C3 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | N1 | sing | 1.38Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.37Å | Aromatic |
| N1 | C1 | sing | 1.38Å | 1.33Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.37Å | Aromatic |
| C1 | C16 | sing | 1.43Å | 1.42Å | |
| C2 | IAA | sing | 2.10Å | 2.08Å | |
| C16 | NAF | trip | 1.14Å | 1.14Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| N2 | HA | sing | 1.01Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C10 | C11 | 109.2° | 109.4° |
| O2 | C10 | C9 | 109.4° | 109.5° |
| C10 | O2 | H2 | 109.5° | 114.0° |
| O2 | C10 | H10 | 109.0° | 109.5° |
| C11 | C10 | C9 | 107.2° | 109.5° |
| C10 | C11 | N2 | 111.9° | 109.5° |
| C11 | C10 | H10 | 111.1° | 109.4° |
| C10 | C11 | H111 | 108.7° | 109.5° |
| C10 | C11 | H112 | 108.7° | 109.5° |
| C10 | C9 | O1 | 113.9° | 109.5° |
| C9 | C10 | H10 | 110.9° | 109.5° |
| C10 | C9 | H91C | 108.0° | 109.5° |
| C10 | C9 | H92C | 108.0° | 109.4° |
| C11 | N2 | C12 | 111.0° | 111.0° |
| N2 | C11 | H111 | 108.7° | 109.5° |
| N2 | C11 | H112 | 108.7° | 109.4° |
| C11 | N2 | HA | 109.0° | 111.0° |
| N2 | C12 | C15 | 108.7° | 109.4° |
| N2 | C12 | C13 | 109.4° | 109.5° |
| N2 | C12 | C14 | 110.7° | 109.5° |
| C12 | N2 | HA | 109.0° | 111.1° |
| C15 | C12 | C13 | 110.7° | 109.4° |
| C15 | C12 | C14 | 108.4° | 109.5° |
| C12 | C15 | H151 | 109.5° | 109.4° |
| C12 | C15 | H152 | 109.5° | 109.4° |
| C12 | C15 | H153 | 109.5° | 109.5° |
| C13 | C12 | C14 | 109.0° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.4° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.4° |
| C12 | C14 | H143 | 109.4° | 109.5° |
| C9 | O1 | C4 | 112.9° | 117.0° |
| O1 | C9 | H91C | 108.0° | 109.4° |
| O1 | C9 | H92C | 108.0° | 109.5° |
| O1 | C4 | C5 | 120.8° | 120.2° |
| O1 | C4 | C3 | 120.6° | 120.2° |
| C5 | C4 | C3 | 118.6° | 119.6° |
| C4 | C5 | C6 | 122.0° | 120.4° |
| C4 | C5 | H5 | 119.0° | 119.8° |
| C4 | C3 | C8 | 120.4° | 119.7° |
| C4 | C3 | C2 | 134.4° | 133.3° |
| C5 | C6 | C7 | 118.9° | 120.7° |
| C6 | C5 | H5 | 119.0° | 119.8° |
| C5 | C6 | H6 | 120.5° | 119.6° |
| C6 | C7 | C8 | 120.0° | 120.1° |
| C7 | C6 | H6 | 120.6° | 119.7° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C7 | C8 | C3 | 120.1° | 119.5° |
| C7 | C8 | N1 | 130.0° | 133.0° |
| C8 | C7 | H7 | 120.0° | 119.9° |
| C3 | C8 | N1 | 109.9° | 107.5° |
| C8 | C3 | C2 | 105.2° | 107.0° |
| C8 | N1 | C1 | 108.4° | 108.7° |
| C8 | N1 | H1 | 125.8° | 125.7° |
| C3 | C2 | C1 | 108.2° | 107.8° |
| C3 | C2 | IAA | 128.8° | 126.1° |
| N1 | C1 | C2 | 108.4° | 109.0° |
| N1 | C1 | C16 | 130.7° | 125.5° |
| C1 | N1 | H1 | 125.8° | 125.6° |
| C2 | C1 | C16 | 120.9° | 125.5° |
| C1 | C2 | IAA | 123.0° | 126.1° |
| C1 | C16 | NAF | 179.0° | 180.0° |
| H111 | C11 | H112 | 110.2° | 109.4° |
| H91C | C9 | H92C | 110.9° | 109.6° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C10 | C11 | C9 | 118.5° | 120.0° |
| O2 | C10 | C11 | H10 | 120.2° | 120.0° |
| O2 | C10 | C9 | H10 | 120.3° | 120.0° |
| O2 | C10 | C11 | N2 | 55.1° | 60.0° |
| O2 | C10 | C9 | O1 | 171.9° | 65.0° |
| O2 | C10 | C11 | H111 | 64.9° | 60.1° |
| O2 | C10 | C11 | H112 | 175.2° | 180.0° |
| O2 | C10 | C9 | H91C | 68.1° | 175.0° |
| O2 | C10 | C9 | H92C | 51.9° | 54.9° |
| C11 | C10 | C9 | H10 | 121.5° | 120.0° |
| C10 | C11 | N2 | H111 | 120.0° | 120.1° |
| C10 | C11 | N2 | H112 | 120.0° | 120.0° |
| C10 | C11 | N2 | C12 | 174.1° | 180.0° |
| C11 | C10 | C9 | O1 | 69.8° | 175.0° |
| C11 | C10 | O2 | H2 | 180.0° | 60.0° |
| C10 | C11 | H111 | H112 | 119.0° | 120.0° |
| C11 | C10 | C9 | H91C | 50.2° | 55.1° |
| C11 | C10 | C9 | H92C | 170.2° | 65.0° |
| C10 | C11 | N2 | HA | 54.1° | 56.0° |
| C9 | C10 | C11 | N2 | 173.6° | 180.0° |
| C10 | C9 | O1 | H91C | 120.0° | 120.0° |
| C10 | C9 | O1 | H92C | 120.0° | 119.9° |
| C10 | C9 | O1 | C4 | 178.4° | 180.0° |
| C9 | C10 | O2 | H2 | 62.9° | 60.0° |
| C9 | C10 | C11 | H111 | 53.6° | 60.0° |
| C9 | C10 | C11 | H112 | 66.4° | 60.0° |
| C10 | C9 | H91C | H92C | 118.2° | 120.0° |
| C11 | N2 | C12 | HA | 120.0° | 124.0° |
| C11 | N2 | C12 | C15 | 179.6° | 60.0° |
| C11 | N2 | C12 | C13 | 59.4° | 180.0° |
| C11 | N2 | C12 | C14 | 60.7° | 60.0° |
| N2 | C11 | C10 | H10 | 65.1° | 59.9° |
| N2 | C11 | H111 | H112 | 119.0° | 119.9° |
| N2 | C12 | C15 | C13 | 120.2° | 120.0° |
| N2 | C12 | C15 | C14 | 120.3° | 120.0° |
| N2 | C12 | C13 | C14 | 121.1° | 120.0° |
| C12 | N2 | C11 | H111 | 65.9° | 59.9° |
| C12 | N2 | C11 | H112 | 54.1° | 60.0° |
| N2 | C12 | C15 | H151 | 180.0° | 60.0° |
| N2 | C12 | C15 | H152 | 60.0° | 180.0° |
| N2 | C12 | C15 | H153 | 60.0° | 60.0° |
| N2 | C12 | C13 | H131 | 180.0° | 60.0° |
| N2 | C12 | C13 | H132 | 60.0° | 180.0° |
| N2 | C12 | C13 | H133 | 60.0° | 59.9° |
| N2 | C12 | C14 | H141 | 180.0° | 60.0° |
| N2 | C12 | C14 | H142 | 60.0° | 180.0° |
| N2 | C12 | C14 | H143 | 60.0° | 60.0° |
| C15 | C12 | C13 | C14 | 119.1° | 120.0° |
| C15 | C12 | N2 | HA | 60.4° | 64.0° |
| C12 | C15 | H151 | H152 | 120.0° | 120.0° |
| C12 | C15 | H151 | H153 | 120.0° | 120.0° |
| C12 | C15 | H152 | H153 | 120.0° | 120.0° |
| C15 | C12 | C13 | H131 | 60.2° | 180.0° |
| C15 | C12 | C13 | H132 | 179.8° | 60.0° |
| C15 | C12 | C13 | H133 | 59.8° | 60.1° |
| C15 | C12 | C14 | H141 | 60.9° | 60.0° |
| C15 | C12 | C14 | H142 | 59.1° | 60.0° |
| C15 | C12 | C14 | H143 | 179.1° | 180.0° |
| C13 | C12 | N2 | HA | 60.6° | 56.0° |
| C13 | C12 | C15 | H151 | 59.8° | 60.0° |
| C13 | C12 | C15 | H152 | 60.1° | 60.0° |
| C13 | C12 | C15 | H153 | 179.9° | 180.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.1° |
| C13 | C12 | C14 | H141 | 59.7° | 180.0° |
| C13 | C12 | C14 | H142 | 179.7° | 60.0° |
| C13 | C12 | C14 | H143 | 60.3° | 60.0° |
| C14 | C12 | N2 | HA | 179.3° | 176.0° |
| C14 | C12 | C15 | H151 | 59.7° | 180.0° |
| C14 | C12 | C15 | H152 | 179.6° | 60.0° |
| C14 | C12 | C15 | H153 | 60.4° | 60.0° |
| C14 | C12 | C13 | H131 | 58.9° | 60.0° |
| C14 | C12 | C13 | H132 | 61.1° | 60.0° |
| C14 | C12 | C13 | H133 | 178.9° | 179.9° |
| C12 | C14 | H141 | H142 | 120.0° | 120.0° |
| C12 | C14 | H141 | H143 | 120.0° | 120.0° |
| C12 | C14 | H142 | H143 | 120.0° | 120.0° |
| C9 | O1 | C4 | C5 | 26.5° | 0.0° |
| C9 | O1 | C4 | C3 | 153.2° | 179.7° |
| O1 | C9 | C10 | H10 | 51.6° | 55.0° |
| O1 | C9 | H91C | H92C | 118.2° | 120.0° |
| O1 | C4 | C5 | C3 | 179.8° | 179.7° |
| O1 | C4 | C5 | C6 | 179.8° | 180.0° |
| O1 | C4 | C3 | C8 | 179.9° | 179.7° |
| O1 | C4 | C3 | C2 | 0.6° | 0.1° |
| C4 | O1 | C9 | H91C | 58.4° | 60.0° |
| C4 | O1 | C9 | H92C | 61.6° | 60.0° |
| O1 | C4 | C5 | H5 | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | C3 | C8 | 0.3° | 0.6° |
| C5 | C4 | C3 | C2 | 179.2° | 179.6° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.4° |
| C4 | C3 | C8 | C7 | 0.1° | 0.5° |
| C4 | C3 | C8 | C2 | 179.6° | 179.8° |
| C4 | C3 | C8 | N1 | 179.5° | 179.7° |
| C4 | C3 | C2 | C1 | 179.2° | 179.3° |
| C4 | C3 | C2 | IAA | 1.1° | 0.1° |
| C3 | C4 | C5 | H5 | 179.6° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.0° | 0.2° |
| C6 | C7 | C8 | N1 | 179.2° | 180.0° |
| C7 | C6 | C5 | H5 | 179.8° | 179.9° |
| C7 | C8 | C3 | N1 | 179.4° | 179.8° |
| C7 | C8 | C3 | C2 | 179.5° | 179.6° |
| C7 | C8 | N1 | C1 | 179.1° | 180.0° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C7 | C8 | N1 | H1 | 0.9° | 0.0° |
| C3 | C8 | N1 | C1 | 0.2° | 0.2° |
| C8 | C3 | C2 | C1 | 0.3° | 0.5° |
| C8 | C3 | C2 | IAA | 179.4° | 179.8° |
| C3 | C8 | C7 | H7 | 180.0° | 179.8° |
| C3 | C8 | N1 | H1 | 179.8° | 179.8° |
| N1 | C8 | C3 | C2 | 0.1° | 0.2° |
| C8 | N1 | C1 | H1 | 180.0° | 180.0° |
| C8 | N1 | C1 | C2 | 0.4° | 0.6° |
| C8 | N1 | C1 | C16 | 179.8° | 180.0° |
| N1 | C8 | C7 | H7 | 0.7° | 0.0° |
| C3 | C2 | C1 | N1 | 0.4° | 0.7° |
| C3 | C2 | C1 | IAA | 179.7° | 179.2° |
| C3 | C2 | C1 | C16 | 179.9° | 179.9° |
| N1 | C1 | C2 | C16 | 179.5° | 179.4° |
| N1 | C1 | C2 | IAA | 179.3° | 179.9° |
| N1 | C1 | C16 | NAF | 159.9° | 26.9° |
| C2 | C1 | C16 | NAF | 19.4° | 153.7° |
| C2 | C1 | N1 | H1 | 179.6° | 179.4° |
| C16 | C1 | C2 | IAA | 0.2° | 0.7° |
| C16 | C1 | N1 | H1 | 0.2° | 0.0° |
| H2 | O2 | C10 | H10 | 58.4° | 180.0° |
| H10 | C10 | C11 | H111 | 174.9° | 180.0° |
| H10 | C10 | C11 | H112 | 54.9° | 60.0° |
| H10 | C10 | C9 | H91C | 171.7° | 64.9° |
| H10 | C10 | C9 | H92C | 68.4° | 175.0° |
| H111 | C11 | N2 | HA | 174.1° | 176.1° |
| H112 | C11 | N2 | HA | 65.9° | 64.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 120.0° | 119.9° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| H6 | C6 | C7 | H7 | 0.0° | 0.0° |
