P32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N3 | trip | 1.14Å | 1.14Å | |
| C16 | C1 | sing | 1.44Å | 1.44Å | |
| N1 | C1 | doub | 1.32Å | 1.32Å | |
| N1 | C8 | sing | 1.33Å | 1.33Å | |
| C1 | C2 | sing | 1.34Å | 1.34Å | |
| C2 | C3 | sing | 1.33Å | 1.33Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | O1 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C9 | sing | 1.41Å | 1.41Å | |
| C9 | C10 | sing | 1.52Å | 1.52Å | |
| C10 | O2 | sing | 1.40Å | 1.40Å | |
| C10 | C11 | sing | 1.55Å | 1.55Å | |
| C11 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C12 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | sing | 1.56Å | 1.56Å | |
| C12 | C14 | sing | 1.55Å | 1.55Å | |
| C12 | C15 | sing | 1.54Å | 1.54Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| C2 | H1 | sing | 1.10Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9C1 | sing | 1.10Å | 1.10Å | |
| C9 | H9C2 | sing | 1.10Å | 1.10Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| O2 | HA | sing | 0.95Å | 0.95Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| N2 | HB | sing | 1.00Å | 1.00Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C13 | H133 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C14 | H143 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C15 | H153 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C16 | C1 | 172.9° | 172.9° |
| C16 | C1 | N1 | 125.3° | 125.3° |
| C16 | C1 | C2 | 123.2° | 123.2° |
| C1 | N1 | C8 | 107.3° | 107.3° |
| N1 | C1 | C2 | 111.4° | 111.4° |
| N1 | C8 | C3 | 107.0° | 107.0° |
| N1 | C8 | C7 | 133.4° | 133.4° |
| C1 | C2 | C3 | 106.0° | 106.0° |
| C1 | C2 | H2 | 110.7° | 110.7° |
| C1 | C2 | H1 | 111.4° | 111.4° |
| C2 | C3 | C4 | 131.1° | 131.1° |
| C2 | C3 | C8 | 108.3° | 108.3° |
| C3 | C2 | H2 | 110.6° | 110.6° |
| C3 | C2 | H1 | 111.4° | 111.4° |
| C4 | C3 | C8 | 120.5° | 120.5° |
| C3 | C4 | C5 | 120.4° | 120.4° |
| C3 | C4 | O1 | 119.3° | 119.3° |
| C3 | C8 | C7 | 119.6° | 119.6° |
| C5 | C4 | O1 | 120.2° | 120.2° |
| C4 | C5 | C6 | 119.1° | 119.1° |
| C4 | C5 | H5 | 120.5° | 120.5° |
| C4 | O1 | C9 | 120.7° | 120.7° |
| C5 | C6 | C7 | 121.1° | 121.1° |
| C6 | C5 | H5 | 120.5° | 120.5° |
| C5 | C6 | H6 | 119.5° | 119.5° |
| C6 | C7 | C8 | 119.3° | 119.3° |
| C7 | C6 | H6 | 119.5° | 119.5° |
| C6 | C7 | H7 | 120.3° | 120.3° |
| C8 | C7 | H7 | 120.4° | 120.4° |
| O1 | C9 | C10 | 104.6° | 104.6° |
| O1 | C9 | H9C1 | 111.1° | 111.1° |
| O1 | C9 | H9C2 | 112.2° | 112.2° |
| C9 | C10 | O2 | 107.0° | 107.0° |
| C9 | C10 | C11 | 106.1° | 106.1° |
| C10 | C9 | H9C1 | 111.1° | 111.1° |
| C10 | C9 | H9C2 | 112.2° | 112.2° |
| C9 | C10 | H10 | 114.3° | 114.3° |
| O2 | C10 | C11 | 112.7° | 112.7° |
| O2 | C10 | H10 | 107.9° | 107.9° |
| C10 | O2 | HA | 109.5° | 109.5° |
| C10 | C11 | N2 | 109.8° | 109.8° |
| C11 | C10 | H10 | 108.8° | 108.8° |
| C10 | C11 | H111 | 109.4° | 109.4° |
| C10 | C11 | H112 | 109.3° | 109.3° |
| C11 | N2 | C12 | 112.5° | 112.5° |
| N2 | C11 | H111 | 109.4° | 109.4° |
| N2 | C11 | H112 | 109.3° | 109.3° |
| C11 | N2 | HB | 108.5° | 108.5° |
| N2 | C12 | C13 | 110.2° | 110.2° |
| N2 | C12 | C14 | 110.7° | 110.7° |
| N2 | C12 | C15 | 107.2° | 107.2° |
| C12 | N2 | HB | 108.5° | 108.5° |
| C13 | C12 | C14 | 110.8° | 110.8° |
| C13 | C12 | C15 | 109.8° | 109.8° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.4° |
| C14 | C12 | C15 | 108.1° | 108.1° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.5° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C12 | C15 | H151 | 109.5° | 109.5° |
| C12 | C15 | H152 | 109.5° | 109.5° |
| C12 | C15 | H153 | 109.5° | 109.5° |
| H2 | C2 | H1 | 106.8° | 106.8° |
| H9C1 | C9 | H9C2 | 105.8° | 105.8° |
| H111 | C11 | H112 | 109.7° | 109.7° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.4° | 109.4° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C16 | C1 | N1 | 55.1° | 55.1° |
| N3 | C16 | C1 | C2 | 125.2° | 125.2° |
| C16 | C1 | N1 | C2 | 179.8° | 179.8° |
| C16 | C1 | N1 | C8 | 178.5° | 178.5° |
| C16 | C1 | C2 | C3 | 178.6° | 178.6° |
| C16 | C1 | C2 | H2 | 61.4° | 61.4° |
| C16 | C1 | C2 | H1 | 57.2° | 57.2° |
| N1 | C1 | C2 | C3 | 1.2° | 1.2° |
| C1 | N1 | C8 | C3 | 0.8° | 0.8° |
| C1 | N1 | C8 | C7 | 179.2° | 179.2° |
| N1 | C1 | C2 | H2 | 118.8° | 118.8° |
| N1 | C1 | C2 | H1 | 122.6° | 122.6° |
| C8 | N1 | C1 | C2 | 1.3° | 1.3° |
| N1 | C8 | C3 | C2 | 0.0° | 0.0° |
| N1 | C8 | C3 | C4 | 179.6° | 179.6° |
| N1 | C8 | C3 | C7 | 179.9° | 179.9° |
| N1 | C8 | C7 | C6 | 180.0° | 180.0° |
| N1 | C8 | C7 | H7 | 0.0° | 0.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H1 | 121.3° | 121.3° |
| C1 | C2 | C3 | C4 | 178.9° | 178.9° |
| C1 | C2 | C3 | C8 | 0.7° | 0.7° |
| C1 | C2 | H2 | H1 | 121.4° | 121.4° |
| C2 | C3 | C4 | C8 | 179.5° | 179.5° |
| C2 | C3 | C4 | C5 | 179.9° | 179.9° |
| C2 | C3 | C4 | O1 | 2.4° | 2.4° |
| C2 | C3 | C8 | C7 | 179.9° | 179.9° |
| C3 | C2 | H2 | H1 | 121.4° | 121.4° |
| C3 | C4 | C5 | O1 | 177.5° | 177.5° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | C3 | C8 | C7 | 0.3° | 0.3° |
| C3 | C4 | O1 | C9 | 137.1° | 137.1° |
| C4 | C3 | C2 | H2 | 61.1° | 61.1° |
| C4 | C3 | C2 | H1 | 57.5° | 57.5° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C8 | C3 | C4 | C5 | 0.4° | 0.4° |
| C8 | C3 | C4 | O1 | 177.1° | 177.1° |
| C3 | C8 | C7 | C6 | 0.1° | 0.1° |
| C8 | C3 | C2 | H2 | 119.3° | 119.3° |
| C8 | C3 | C2 | H1 | 122.1° | 122.1° |
| C3 | C8 | C7 | H7 | 179.9° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.2° |
| C5 | C4 | O1 | C9 | 45.4° | 45.4° |
| C4 | C5 | C6 | H6 | 179.8° | 179.8° |
| O1 | C4 | C5 | C6 | 177.3° | 177.3° |
| C4 | O1 | C9 | C10 | 167.4° | 167.4° |
| O1 | C4 | C5 | H5 | 2.6° | 2.6° |
| C4 | O1 | C9 | H9C1 | 72.6° | 72.6° |
| C4 | O1 | C9 | H9C2 | 45.6° | 45.6° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.3° |
| C5 | C6 | C7 | H7 | 179.7° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.8° | 179.8° |
| C8 | C7 | C6 | H6 | 179.7° | 179.7° |
| O1 | C9 | C10 | H9C1 | 120.0° | 120.0° |
| O1 | C9 | C10 | H9C2 | 121.8° | 121.8° |
| O1 | C9 | C10 | O2 | 146.2° | 146.2° |
| O1 | C9 | C10 | C11 | 93.2° | 93.2° |
| O1 | C9 | H9C1 | H9C2 | 122.0° | 122.0° |
| O1 | C9 | C10 | H10 | 26.7° | 26.7° |
| C9 | C10 | O2 | C11 | 116.3° | 116.3° |
| C9 | C10 | O2 | H10 | 123.5° | 123.5° |
| C9 | C10 | C11 | H10 | 123.5° | 123.5° |
| C9 | C10 | C11 | N2 | 165.3° | 165.3° |
| C10 | C9 | H9C1 | H9C2 | 122.0° | 122.0° |
| C9 | C10 | O2 | HA | 23.4° | 23.4° |
| C9 | C10 | C11 | H111 | 45.3° | 45.3° |
| C9 | C10 | C11 | H112 | 74.8° | 74.8° |
| O2 | C10 | C11 | H10 | 119.7° | 119.7° |
| O2 | C10 | C11 | N2 | 48.4° | 48.4° |
| O2 | C10 | C9 | H9C1 | 26.2° | 26.2° |
| O2 | C10 | C9 | H9C2 | 92.0° | 92.0° |
| O2 | C10 | C11 | H111 | 71.6° | 71.6° |
| O2 | C10 | C11 | H112 | 168.3° | 168.3° |
| C10 | C11 | N2 | H111 | 120.0° | 120.0° |
| C10 | C11 | N2 | H112 | 119.9° | 119.9° |
| C10 | C11 | N2 | C12 | 169.4° | 169.4° |
| C11 | C10 | C9 | H9C1 | 146.8° | 146.8° |
| C11 | C10 | C9 | H9C2 | 28.6° | 28.6° |
| C11 | C10 | O2 | HA | 93.0° | 93.0° |
| C10 | C11 | H111 | H112 | 119.9° | 119.9° |
| C10 | C11 | N2 | HB | 49.4° | 49.4° |
| C11 | N2 | C12 | HB | 120.0° | 120.0° |
| C11 | N2 | C12 | C13 | 75.1° | 75.1° |
| C11 | N2 | C12 | C14 | 47.8° | 47.8° |
| C11 | N2 | C12 | C15 | 165.5° | 165.5° |
| N2 | C11 | C10 | H10 | 71.3° | 71.3° |
| N2 | C11 | H111 | H112 | 119.9° | 119.9° |
| N2 | C12 | C13 | C14 | 122.8° | 122.8° |
| N2 | C12 | C13 | C15 | 117.8° | 117.8° |
| N2 | C12 | C14 | C15 | 117.1° | 117.1° |
| C12 | N2 | C11 | H111 | 70.6° | 70.6° |
| C12 | N2 | C11 | H112 | 49.5° | 49.5° |
| N2 | C12 | C13 | H131 | 67.3° | 67.3° |
| N2 | C12 | C13 | H132 | 172.7° | 172.7° |
| N2 | C12 | C13 | H133 | 52.7° | 52.7° |
| N2 | C12 | C14 | H141 | 153.3° | 153.3° |
| N2 | C12 | C14 | H142 | 86.7° | 86.7° |
| N2 | C12 | C14 | H143 | 33.3° | 33.3° |
| N2 | C12 | C15 | H151 | 39.2° | 39.2° |
| N2 | C12 | C15 | H152 | 80.8° | 80.8° |
| N2 | C12 | C15 | H153 | 159.2° | 159.2° |
| C13 | C12 | C14 | C15 | 120.3° | 120.3° |
| C13 | C12 | N2 | HB | 44.9° | 44.9° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C12 | C14 | H141 | 30.8° | 30.8° |
| C13 | C12 | C14 | H142 | 150.8° | 150.8° |
| C13 | C12 | C14 | H143 | 89.2° | 89.2° |
| C13 | C12 | C15 | H151 | 80.5° | 80.5° |
| C13 | C12 | C15 | H152 | 159.5° | 159.5° |
| C13 | C12 | C15 | H153 | 39.5° | 39.5° |
| C14 | C12 | N2 | HB | 167.8° | 167.8° |
| C14 | C12 | C13 | H131 | 169.9° | 169.9° |
| C14 | C12 | C13 | H132 | 49.9° | 49.9° |
| C14 | C12 | C13 | H133 | 70.1° | 70.1° |
| C12 | C14 | H141 | H142 | 120.0° | 120.0° |
| C12 | C14 | H141 | H143 | 120.0° | 120.0° |
| C12 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C12 | C15 | H151 | 158.5° | 158.5° |
| C14 | C12 | C15 | H152 | 38.6° | 38.6° |
| C14 | C12 | C15 | H153 | 81.5° | 81.5° |
| C15 | C12 | N2 | HB | 74.5° | 74.5° |
| C15 | C12 | C13 | H131 | 50.5° | 50.5° |
| C15 | C12 | C13 | H132 | 69.5° | 69.5° |
| C15 | C12 | C13 | H133 | 170.5° | 170.5° |
| C15 | C12 | C14 | H141 | 89.5° | 89.5° |
| C15 | C12 | C14 | H142 | 30.5° | 30.5° |
| C15 | C12 | C14 | H143 | 150.5° | 150.5° |
| C12 | C15 | H151 | H152 | 120.0° | 120.0° |
| C12 | C15 | H151 | H153 | 120.0° | 120.0° |
| C12 | C15 | H152 | H153 | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.3° |
| H6 | C6 | C7 | H7 | 0.4° | 0.4° |
| H9C1 | C9 | C10 | H10 | 93.3° | 93.3° |
| H9C2 | C9 | C10 | H10 | 148.5° | 148.5° |
| H10 | C10 | O2 | HA | 146.9° | 146.9° |
| H10 | C10 | C11 | H111 | 168.7° | 168.7° |
| H10 | C10 | C11 | H112 | 48.6° | 48.6° |
| H111 | C11 | N2 | HB | 169.4° | 169.4° |
| H112 | C11 | N2 | HB | 70.5° | 70.5° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
