AP9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C15 | sing | 1.43Å | 1.43Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C15 | C12 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N2 | sing | 1.47Å | 1.46Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | 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 | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| N2 | C2 | sing | 1.39Å | 1.36Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C2 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.47Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.49Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C9 | sing | 1.47Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| N6 | C1A | sing | 1.40Å | 1.35Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C1A | C2A | sing | 1.39Å | 1.40Å | Aromatic |
| C1A | C6A | doub | 1.39Å | 1.40Å | Aromatic |
| C2A | C3A | doub | 1.39Å | 1.40Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| C3A | N10 | sing | 1.40Å | 1.35Å | |
| C3A | C4A | sing | 1.39Å | 1.39Å | Aromatic |
| N10 | H11 | sing | 0.97Å | 1.00Å | |
| N10 | H12A | sing | 0.97Å | 1.00Å | |
| C4A | C5A | doub | 1.38Å | 1.40Å | Aromatic |
| C4A | H4A | sing | 1.08Å | 1.08Å | |
| C5A | CL1 | sing | 1.74Å | 1.50Å | |
| C5A | C6A | sing | 1.38Å | 1.40Å | Aromatic |
| C6A | H6A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | O1 | HO1 | 109.5° | 106.8° |
| O1 | C15 | C12 | 109.2° | 109.5° |
| O1 | C15 | H151 | 109.6° | 109.4° |
| O1 | C15 | H152 | 109.6° | 109.5° |
| C12 | C15 | H151 | 109.6° | 109.5° |
| C12 | C15 | H152 | 109.6° | 109.5° |
| C15 | C12 | C13 | 114.6° | 109.5° |
| C15 | C12 | N2 | 112.1° | 109.4° |
| C15 | C12 | H12 | 104.0° | 109.5° |
| H151 | C15 | H152 | 109.3° | 109.5° |
| C13 | C12 | N2 | 109.9° | 109.5° |
| C13 | C12 | H12 | 106.5° | 109.5° |
| C12 | C13 | C14 | 110.2° | 109.4° |
| C12 | C13 | C16 | 111.3° | 109.4° |
| C12 | C13 | H13 | 108.0° | 109.5° |
| N2 | C12 | H12 | 109.3° | 109.5° |
| C12 | N2 | C2 | 128.2° | 120.0° |
| C12 | N2 | HN2 | 115.9° | 120.0° |
| C14 | C13 | C16 | 110.5° | 109.5° |
| C14 | C13 | H13 | 108.9° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.4° | 109.4° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| C16 | C13 | H13 | 107.8° | 109.5° |
| C13 | C16 | H161 | 109.5° | 109.5° |
| C13 | C16 | H162 | 109.5° | 109.5° |
| C13 | C16 | H163 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.4° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| C2 | N2 | HN2 | 115.9° | 120.1° |
| N2 | C2 | N3 | 114.7° | 118.8° |
| N2 | C2 | N1 | 123.2° | 118.9° |
| N3 | C2 | N1 | 122.0° | 122.3° |
| C2 | N3 | C4 | 122.7° | 120.6° |
| C2 | N1 | C6 | 121.8° | 121.1° |
| N3 | C4 | C5 | 117.8° | 119.1° |
| N3 | C4 | N9 | 135.1° | 134.8° |
| C5 | C4 | N9 | 107.2° | 106.0° |
| C4 | C5 | N7 | 105.9° | 107.1° |
| C4 | C5 | C6 | 118.3° | 118.3° |
| C4 | N9 | C8 | 107.5° | 107.5° |
| C4 | N9 | C9 | 128.4° | 126.3° |
| N7 | C5 | C6 | 135.8° | 134.5° |
| C5 | N7 | C8 | 108.0° | 109.5° |
| C5 | C6 | N1 | 117.3° | 118.6° |
| C5 | C6 | N6 | 119.0° | 120.7° |
| N7 | C8 | N9 | 111.5° | 109.9° |
| N7 | C8 | H8 | 124.2° | 125.0° |
| N9 | C8 | H8 | 124.2° | 125.0° |
| C8 | N9 | C9 | 124.2° | 126.3° |
| N9 | C9 | C10 | 107.4° | 109.4° |
| N9 | C9 | C11 | 113.3° | 109.5° |
| N9 | C9 | H9 | 107.4° | 109.4° |
| C10 | C9 | C11 | 106.5° | 109.5° |
| C10 | C9 | H9 | 114.1° | 109.5° |
| C9 | C10 | H101 | 109.4° | 109.4° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| C9 | C10 | H103 | 109.5° | 109.5° |
| C11 | C9 | H9 | 108.3° | 109.5° |
| C9 | C11 | H111 | 109.5° | 109.5° |
| C9 | C11 | H112 | 109.5° | 109.5° |
| C9 | C11 | H113 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| N1 | C6 | N6 | 123.7° | 120.7° |
| C6 | N6 | C1A | 128.9° | 120.0° |
| C6 | N6 | HN6 | 115.6° | 120.0° |
| C1A | N6 | HN6 | 115.5° | 120.0° |
| N6 | C1A | C2A | 118.4° | 120.1° |
| N6 | C1A | C6A | 122.1° | 120.0° |
| C2A | C1A | C6A | 119.4° | 119.9° |
| C1A | C2A | C3A | 121.1° | 119.9° |
| C1A | C2A | H2A | 119.5° | 120.1° |
| C1A | C6A | C5A | 119.3° | 120.1° |
| C1A | C6A | H6A | 120.3° | 120.0° |
| C3A | C2A | H2A | 119.5° | 120.0° |
| C2A | C3A | N10 | 120.1° | 120.1° |
| C2A | C3A | C4A | 119.6° | 119.9° |
| N10 | C3A | C4A | 120.3° | 120.0° |
| C3A | N10 | H11 | 109.5° | 120.0° |
| C3A | N10 | H12A | 109.5° | 120.1° |
| C3A | C4A | C5A | 119.5° | 120.0° |
| C3A | C4A | H4A | 120.3° | 120.0° |
| H11 | N10 | H12A | 109.4° | 120.0° |
| C5A | C4A | H4A | 120.2° | 120.0° |
| C4A | C5A | CL1 | 118.8° | 119.9° |
| C4A | C5A | C6A | 121.0° | 120.1° |
| CL1 | C5A | C6A | 120.2° | 120.0° |
| C5A | C6A | H6A | 120.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C15 | C12 | H151 | 120.1° | 120.0° |
| O1 | C15 | C12 | H152 | 120.0° | 120.0° |
| O1 | C15 | H151 | H152 | 120.1° | 120.0° |
| O1 | C15 | C12 | C13 | 119.9° | 55.7° |
| O1 | C15 | C12 | N2 | 114.0° | 64.2° |
| O1 | C15 | C12 | H12 | 4.1° | 175.8° |
| HO1 | O1 | C15 | C12 | 166.3° | 179.9° |
| HO1 | O1 | C15 | H151 | 73.6° | 60.0° |
| HO1 | O1 | C15 | H152 | 46.3° | 59.9° |
| C12 | C15 | H151 | H152 | 120.1° | 120.0° |
| C15 | C12 | C13 | N2 | 127.2° | 119.9° |
| C15 | C12 | C13 | H12 | 114.4° | 120.0° |
| C15 | C12 | N2 | H12 | 114.8° | 120.0° |
| C15 | C12 | C13 | C14 | 168.2° | 63.4° |
| C15 | C12 | C13 | C16 | 68.8° | 176.6° |
| C15 | C12 | C13 | H13 | 49.3° | 56.6° |
| C15 | C12 | N2 | C2 | 44.5° | 85.0° |
| C15 | C12 | N2 | HN2 | 135.5° | 95.1° |
| H151 | C15 | C12 | C13 | 0.2° | 175.7° |
| H151 | C15 | C12 | N2 | 125.9° | 55.7° |
| H151 | C15 | C12 | H12 | 116.0° | 64.2° |
| H152 | C15 | C12 | C13 | 120.0° | 64.3° |
| H152 | C15 | C12 | N2 | 6.1° | 175.8° |
| H152 | C15 | C12 | H12 | 124.1° | 55.8° |
| C13 | C12 | N2 | H12 | 116.5° | 120.1° |
| C12 | C13 | C14 | C16 | 123.5° | 120.0° |
| C12 | C13 | C14 | H13 | 118.3° | 120.0° |
| C12 | C13 | C16 | H13 | 118.3° | 120.0° |
| C12 | C13 | C14 | H141 | 142.7° | 54.2° |
| C12 | C13 | C14 | H142 | 22.7° | 174.1° |
| C12 | C13 | C14 | H143 | 97.3° | 65.9° |
| C12 | C13 | C16 | H161 | 178.6° | 60.0° |
| C12 | C13 | C16 | H162 | 58.6° | 60.0° |
| C12 | C13 | C16 | H163 | 61.3° | 179.9° |
| C13 | C12 | N2 | C2 | 84.1° | 155.0° |
| C13 | C12 | N2 | HN2 | 95.8° | 24.9° |
| N2 | C12 | C13 | C14 | 41.0° | 176.6° |
| N2 | C12 | C13 | C16 | 163.9° | 56.6° |
| N2 | C12 | C13 | H13 | 77.9° | 63.4° |
| C12 | N2 | C2 | HN2 | 180.0° | 179.9° |
| C12 | N2 | C2 | N3 | 174.7° | 179.8° |
| C12 | N2 | C2 | N1 | 5.7° | 0.0° |
| H12 | C12 | C13 | C14 | 77.4° | 56.6° |
| H12 | C12 | C13 | C16 | 45.6° | 63.4° |
| H12 | C12 | C13 | H13 | 163.7° | 176.6° |
| H12 | C12 | N2 | C2 | 159.3° | 35.0° |
| H12 | C12 | N2 | HN2 | 20.7° | 145.0° |
| C14 | C13 | C16 | H13 | 118.9° | 120.0° |
| C13 | C14 | H141 | H142 | 120.0° | 119.9° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C13 | C16 | H161 | 55.8° | 60.0° |
| C14 | C13 | C16 | H162 | 64.2° | 180.0° |
| C14 | C13 | C16 | H163 | 175.8° | 60.0° |
| C16 | C13 | C14 | H141 | 93.8° | 65.8° |
| C16 | C13 | C14 | H142 | 146.2° | 54.2° |
| C16 | C13 | C14 | H143 | 26.2° | 174.2° |
| C13 | C16 | H161 | H162 | 120.0° | 120.0° |
| C13 | C16 | H161 | H163 | 120.0° | 120.0° |
| C13 | C16 | H162 | H163 | 120.0° | 120.0° |
| H13 | C13 | C14 | H141 | 24.4° | 174.2° |
| H13 | C13 | C14 | H142 | 95.6° | 65.9° |
| H13 | C13 | C14 | H143 | 144.4° | 54.1° |
| H13 | C13 | C16 | H161 | 63.1° | 180.0° |
| H13 | C13 | C16 | H162 | 176.9° | 60.0° |
| H13 | C13 | C16 | H163 | 56.9° | 60.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.1° |
| H161 | C16 | H162 | H163 | 120.0° | 119.9° |
| N2 | C2 | N3 | N1 | 179.6° | 179.8° |
| N2 | C2 | N3 | C4 | 180.0° | 179.7° |
| N2 | C2 | N1 | C6 | 179.5° | 180.0° |
| HN2 | N2 | C2 | N3 | 5.4° | 0.3° |
| HN2 | N2 | C2 | N1 | 174.2° | 179.9° |
| C2 | N3 | C4 | C5 | 0.1° | 0.6° |
| C2 | N3 | C4 | N9 | 180.0° | 179.8° |
| N3 | C2 | N1 | C6 | 0.1° | 0.2° |
| N1 | C2 | N3 | C4 | 0.4° | 0.5° |
| C2 | N1 | C6 | C5 | 0.7° | 0.0° |
| C2 | N1 | C6 | N6 | 178.7° | 179.9° |
| N3 | C4 | C5 | N9 | 179.9° | 179.7° |
| N3 | C4 | C5 | N7 | 180.0° | 179.7° |
| N3 | C4 | C5 | C6 | 0.6° | 0.3° |
| N3 | C4 | N9 | C8 | 179.9° | 179.7° |
| N3 | C4 | N9 | C9 | 0.5° | 0.3° |
| C4 | C5 | N7 | C6 | 179.3° | 179.9° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C9 | 179.6° | 179.9° |
| C4 | C5 | C6 | N1 | 1.0° | 0.0° |
| C4 | C5 | C6 | N6 | 179.0° | 180.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.3° | 180.0° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | C9 | 179.5° | 179.9° |
| C4 | N9 | C8 | H8 | 179.7° | 180.0° |
| C4 | N9 | C9 | C10 | 116.5° | 120.0° |
| C4 | N9 | C9 | C11 | 0.8° | 120.0° |
| C4 | N9 | C9 | H9 | 120.4° | 0.1° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H8 | 179.8° | 180.0° |
| N7 | C5 | C6 | N1 | 179.8° | 179.9° |
| N7 | C5 | C6 | N6 | 1.7° | 0.1° |
| C6 | C5 | N7 | C8 | 179.3° | 180.0° |
| C5 | C6 | N1 | N6 | 178.0° | 180.0° |
| C5 | C6 | N6 | C1A | 147.3° | 174.8° |
| C5 | C6 | N6 | HN6 | 32.7° | 5.1° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C9 | 179.7° | 179.9° |
| C8 | N9 | C9 | C10 | 62.9° | 60.1° |
| C8 | N9 | C9 | C11 | 179.9° | 59.9° |
| C8 | N9 | C9 | H9 | 60.3° | 180.0° |
| H8 | C8 | N9 | C9 | 0.3° | 0.1° |
| N9 | C9 | C10 | C11 | 121.7° | 120.0° |
| N9 | C9 | C10 | H9 | 118.9° | 120.0° |
| N9 | C9 | C11 | H9 | 119.1° | 120.0° |
| N9 | C9 | C10 | H101 | 70.7° | 180.0° |
| N9 | C9 | C10 | H102 | 169.3° | 60.1° |
| N9 | C9 | C10 | H103 | 49.3° | 60.0° |
| N9 | C9 | C11 | H111 | 19.2° | 60.0° |
| N9 | C9 | C11 | H112 | 100.8° | 180.0° |
| N9 | C9 | C11 | H113 | 139.2° | 60.0° |
| C10 | C9 | C11 | H9 | 123.2° | 120.1° |
| C9 | C10 | H101 | H102 | 120.0° | 119.9° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.1° | 120.1° |
| C10 | C9 | C11 | H111 | 98.6° | 180.0° |
| C10 | C9 | C11 | H112 | 141.4° | 60.0° |
| C10 | C9 | C11 | H113 | 21.4° | 60.0° |
| C11 | C9 | C10 | H101 | 51.0° | 60.0° |
| C11 | C9 | C10 | H102 | 69.0° | 180.0° |
| C11 | C9 | C10 | H103 | 171.0° | 59.9° |
| C9 | C11 | H111 | H112 | 120.0° | 120.0° |
| C9 | C11 | H111 | H113 | 120.0° | 120.0° |
| C9 | C11 | H112 | H113 | 120.0° | 119.9° |
| H9 | C9 | C10 | H101 | 170.4° | 60.0° |
| H9 | C9 | C10 | H102 | 50.4° | 59.9° |
| H9 | C9 | C10 | H103 | 69.6° | 180.0° |
| H9 | C9 | C11 | H111 | 138.3° | 60.0° |
| H9 | C9 | C11 | H112 | 18.2° | 60.1° |
| H9 | C9 | C11 | H113 | 101.7° | 180.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.1° |
| N1 | C6 | N6 | C1A | 34.8° | 5.2° |
| N1 | C6 | N6 | HN6 | 145.2° | 174.8° |
| C6 | N6 | C1A | HN6 | 180.0° | 180.0° |
| C6 | N6 | C1A | C2A | 118.1° | 33.1° |
| C6 | N6 | C1A | C6A | 65.0° | 146.6° |
| N6 | C1A | C2A | C6A | 177.0° | 179.7° |
| N6 | C1A | C2A | C3A | 178.4° | 180.0° |
| N6 | C1A | C2A | H2A | 1.6° | 0.0° |
| N6 | C1A | C6A | C5A | 178.3° | 179.7° |
| N6 | C1A | C6A | H6A | 1.7° | 0.3° |
| HN6 | N6 | C1A | C2A | 61.9° | 146.9° |
| HN6 | N6 | C1A | C6A | 115.0° | 33.4° |
| C1A | C2A | C3A | H2A | 180.0° | 180.0° |
| C1A | C2A | C3A | N10 | 179.3° | 180.0° |
| C1A | C2A | C3A | C4A | 0.7° | 0.0° |
| C2A | C1A | C6A | C5A | 1.5° | 0.6° |
| C2A | C1A | C6A | H6A | 178.5° | 180.0° |
| C6A | C1A | C2A | C3A | 1.4° | 0.3° |
| C6A | C1A | C2A | H2A | 178.6° | 179.7° |
| C1A | C6A | C5A | C4A | 0.8° | 0.7° |
| C1A | C6A | C5A | CL1 | 178.8° | 179.7° |
| C1A | C6A | C5A | H6A | 180.0° | 179.4° |
| C2A | C3A | N10 | C4A | 180.0° | 180.0° |
| C2A | C3A | N10 | H11 | 21.8° | 0.0° |
| C2A | C3A | N10 | H12A | 141.8° | 180.0° |
| C2A | C3A | C4A | C5A | 0.0° | 0.1° |
| C2A | C3A | C4A | H4A | 179.9° | 180.0° |
| H2A | C2A | C3A | N10 | 0.7° | 0.0° |
| H2A | C2A | C3A | C4A | 179.3° | 180.0° |
| C3A | N10 | H11 | H12A | 120.0° | 180.0° |
| N10 | C3A | C4A | C5A | 180.0° | 180.0° |
| N10 | C3A | C4A | H4A | 0.1° | 0.1° |
| C4A | C3A | N10 | H11 | 158.2° | 179.9° |
| C4A | C3A | N10 | H12A | 38.2° | 0.0° |
| C3A | C4A | C5A | H4A | 180.0° | 179.9° |
| C3A | C4A | C5A | CL1 | 179.5° | 180.0° |
| C3A | C4A | C5A | C6A | 0.1° | 0.4° |
| C4A | C5A | CL1 | C6A | 179.7° | 179.6° |
| C4A | C5A | C6A | H6A | 179.1° | 180.0° |
| H4A | C4A | C5A | CL1 | 0.5° | 0.1° |
| H4A | C4A | C5A | C6A | 179.9° | 179.7° |
| CL1 | C5A | C6A | H6A | 1.2° | 0.4° |
