A1C3P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.21Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| C4 | C5 | sing | 1.54Å | 1.51Å | |
| C5 | O6 | sing | 1.46Å | 1.46Å | |
| C3 | N7 | sing | 1.46Å | 1.45Å | |
| N7 | C8 | sing | 1.35Å | 1.33Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C10 | O16 | sing | 1.43Å | 1.41Å | |
| C8 | O17 | doub | 1.21Å | 1.23Å | |
| O6 | C2 | sing | 1.34Å | 1.36Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 128.0° | 126.4° |
| O1 | C2 | O6 | 122.5° | 126.5° |
| C2 | C3 | C4 | 101.5° | 103.5° |
| C2 | C3 | N7 | 112.9° | 110.6° |
| C3 | C2 | O6 | 109.4° | 107.2° |
| C2 | C3 | H3 | 108.5° | 110.6° |
| C3 | C4 | C5 | 102.6° | 103.1° |
| C4 | C3 | N7 | 115.8° | 110.6° |
| C3 | C4 | H4A | 111.1° | 110.7° |
| C3 | C4 | H4B | 111.1° | 110.8° |
| C4 | C3 | H3 | 108.2° | 110.6° |
| C4 | C5 | O6 | 105.4° | 106.4° |
| C5 | C4 | H4A | 111.1° | 110.7° |
| C5 | C4 | H4B | 111.2° | 110.7° |
| C4 | C5 | H5A | 110.5° | 110.1° |
| C4 | C5 | H5B | 110.5° | 110.1° |
| C5 | O6 | C2 | 110.5° | 109.6° |
| O6 | C5 | H5A | 110.5° | 110.1° |
| O6 | C5 | H5B | 110.5° | 110.1° |
| C3 | N7 | C8 | 123.2° | 120.0° |
| N7 | C3 | H3 | 109.5° | 110.7° |
| C3 | N7 | H7 | 118.4° | 120.1° |
| N7 | C8 | C9 | 117.6° | 120.0° |
| N7 | C8 | O17 | 121.9° | 120.0° |
| C8 | N7 | H7 | 118.4° | 120.0° |
| C8 | C9 | C10 | 114.2° | 109.5° |
| C9 | C8 | O17 | 120.5° | 120.0° |
| C8 | C9 | H9A | 108.3° | 109.5° |
| C8 | C9 | H9B | 108.3° | 109.4° |
| C9 | C10 | C11 | 114.3° | 109.5° |
| C9 | C10 | O16 | 110.7° | 109.5° |
| C9 | C10 | H10 | 104.8° | 109.5° |
| C10 | C9 | H9A | 108.3° | 109.5° |
| C10 | C9 | H9B | 108.3° | 109.5° |
| C10 | C11 | C12 | 117.6° | 109.5° |
| C11 | C10 | O16 | 115.0° | 109.5° |
| C11 | C10 | H10 | 104.9° | 109.5° |
| C10 | C11 | H11A | 107.4° | 109.4° |
| C10 | C11 | H11B | 107.4° | 109.5° |
| C11 | C12 | C13 | 111.5° | 109.5° |
| C12 | C11 | H11A | 107.4° | 109.5° |
| C12 | C11 | H11B | 107.4° | 109.5° |
| C11 | C12 | H12A | 108.9° | 109.5° |
| C11 | C12 | H12B | 109.0° | 109.5° |
| C12 | C13 | C14 | 114.9° | 109.5° |
| C12 | C13 | H13A | 108.1° | 109.5° |
| C12 | C13 | H13B | 108.1° | 109.5° |
| C13 | C12 | H12A | 109.0° | 109.5° |
| C13 | C12 | H12B | 109.0° | 109.5° |
| C13 | C14 | C15 | 109.0° | 109.5° |
| C14 | C13 | H13A | 108.1° | 109.5° |
| C14 | C13 | H13B | 108.1° | 109.5° |
| C13 | C14 | H14A | 109.6° | 109.5° |
| C13 | C14 | H14B | 109.6° | 109.5° |
| C14 | C15 | H15A | 109.5° | 109.4° |
| C14 | C15 | H15B | 109.4° | 109.4° |
| C14 | C15 | H15C | 109.5° | 109.5° |
| C15 | C14 | H14A | 109.5° | 109.4° |
| C15 | C14 | H14B | 109.6° | 109.4° |
| O16 | C10 | H10 | 106.0° | 109.4° |
| C10 | O16 | H16 | 109.5° | 114.0° |
| H4A | C4 | H4B | 109.5° | 110.6° |
| H5A | C5 | H5B | 109.5° | 110.1° |
| H13A | C13 | H13B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15C | 109.5° | 109.5° |
| H15B | C15 | H15C | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | O6 | 177.3° | 180.0° |
| O1 | C2 | C3 | C4 | 158.9° | 149.4° |
| O1 | C2 | O6 | C5 | 176.6° | 147.2° |
| O1 | C2 | C3 | N7 | 34.3° | 92.1° |
| O1 | C2 | C3 | H3 | 87.3° | 30.9° |
| C2 | C3 | C4 | N7 | 122.6° | 118.5° |
| C2 | C3 | C4 | H3 | 114.0° | 118.5° |
| C2 | C3 | C4 | C5 | 31.4° | 16.5° |
| C3 | C2 | O6 | C5 | 5.9° | 32.8° |
| C2 | C3 | N7 | H3 | 121.0° | 123.0° |
| C2 | C3 | N7 | C8 | 99.4° | 86.5° |
| C2 | C3 | C4 | H4A | 150.2° | 134.9° |
| C2 | C3 | C4 | H4B | 87.5° | 102.0° |
| C2 | C3 | N7 | H7 | 80.6° | 93.5° |
| C3 | C4 | C5 | H4A | 118.9° | 118.4° |
| C3 | C4 | C5 | H4B | 118.9° | 118.6° |
| C3 | C4 | C5 | O6 | 29.1° | 1.1° |
| C4 | C3 | N7 | H3 | 122.6° | 123.0° |
| C4 | C3 | N7 | C8 | 144.2° | 159.5° |
| C4 | C3 | C2 | O6 | 23.8° | 30.6° |
| C3 | C4 | H4A | H4B | 123.2° | 123.2° |
| C3 | C4 | C5 | H5A | 90.2° | 118.1° |
| C3 | C4 | C5 | H5B | 148.5° | 120.3° |
| C4 | C3 | N7 | H7 | 35.8° | 20.5° |
| C4 | C5 | O6 | H5A | 119.4° | 119.2° |
| C4 | C5 | O6 | H5B | 119.3° | 119.3° |
| C5 | C4 | C3 | N7 | 154.0° | 102.0° |
| C4 | C5 | O6 | C2 | 15.3° | 21.3° |
| C5 | C4 | H4A | H4B | 123.2° | 123.1° |
| C4 | C5 | H5A | H5B | 121.9° | 121.6° |
| C5 | C4 | C3 | H3 | 82.7° | 135.0° |
| O6 | C5 | C4 | H4A | 148.0° | 117.3° |
| O6 | C5 | C4 | H4B | 89.7° | 119.6° |
| O6 | C5 | H5A | H5B | 121.9° | 121.5° |
| C3 | N7 | C8 | H7 | 180.0° | 180.0° |
| C3 | N7 | C8 | C9 | 179.8° | 180.0° |
| C3 | N7 | C8 | O17 | 1.0° | 0.0° |
| N7 | C3 | C2 | O6 | 148.4° | 87.8° |
| N7 | C3 | C4 | H4A | 87.1° | 16.4° |
| N7 | C3 | C4 | H4B | 35.1° | 139.5° |
| N7 | C8 | C9 | O17 | 179.2° | 180.0° |
| N7 | C8 | C9 | C10 | 115.2° | 180.0° |
| C8 | N7 | C3 | H3 | 21.6° | 36.5° |
| N7 | C8 | C9 | H9A | 5.5° | 60.0° |
| N7 | C8 | C9 | H9B | 124.1° | 60.0° |
| C8 | C9 | C10 | H9A | 120.7° | 120.0° |
| C8 | C9 | C10 | H9B | 120.7° | 120.0° |
| C8 | C9 | C10 | C11 | 59.8° | 175.0° |
| C8 | C9 | C10 | O16 | 168.3° | 65.0° |
| C8 | C9 | C10 | H10 | 54.5° | 55.0° |
| C9 | C8 | N7 | H7 | 0.2° | 0.0° |
| C8 | C9 | H9A | H9B | 117.9° | 120.0° |
| C9 | C10 | C11 | O16 | 129.8° | 120.0° |
| C9 | C10 | C11 | H10 | 114.2° | 120.1° |
| C9 | C10 | C11 | C12 | 176.0° | 175.0° |
| C9 | C10 | O16 | H10 | 113.1° | 120.0° |
| C10 | C9 | C8 | O17 | 65.6° | 0.0° |
| C10 | C9 | H9A | H9B | 117.8° | 120.0° |
| C9 | C10 | C11 | H11A | 54.8° | 55.0° |
| C9 | C10 | C11 | H11B | 62.9° | 65.0° |
| C9 | C10 | O16 | H16 | 180.0° | 60.0° |
| C10 | C11 | C12 | H11A | 121.2° | 120.0° |
| C10 | C11 | C12 | H11B | 121.2° | 120.0° |
| C10 | C11 | C12 | C13 | 131.2° | 180.0° |
| C11 | C10 | O16 | H10 | 115.4° | 120.0° |
| C11 | C10 | C9 | H9A | 60.9° | 55.0° |
| C11 | C10 | C9 | H9B | 179.5° | 65.0° |
| C10 | C11 | H11A | H11B | 116.3° | 120.0° |
| C10 | C11 | C12 | H12A | 108.4° | 59.9° |
| C10 | C11 | C12 | H12B | 10.9° | 60.0° |
| C11 | C10 | O16 | H16 | 48.5° | 60.0° |
| C11 | C12 | C13 | H12A | 120.3° | 120.1° |
| C11 | C12 | C13 | H12B | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 161.6° | 180.0° |
| C12 | C11 | C10 | O16 | 54.2° | 65.0° |
| C12 | C11 | C10 | H10 | 61.8° | 54.9° |
| C11 | C12 | C13 | H13A | 77.6° | 60.0° |
| C11 | C12 | C13 | H13B | 40.7° | 60.0° |
| C12 | C11 | H11A | H11B | 116.3° | 120.0° |
| C11 | C12 | H12A | H12B | 119.1° | 120.0° |
| C12 | C13 | C14 | H13A | 120.8° | 120.0° |
| C12 | C13 | C14 | H13B | 120.8° | 120.0° |
| C12 | C13 | C14 | C15 | 169.8° | 180.0° |
| C12 | C13 | H13A | H13B | 117.5° | 120.0° |
| C13 | C12 | C11 | H11A | 10.1° | 60.0° |
| C13 | C12 | C11 | H11B | 107.6° | 60.0° |
| C13 | C12 | H12A | H12B | 119.1° | 120.0° |
| C12 | C13 | C14 | H14A | 49.8° | 60.0° |
| C12 | C13 | C14 | H14B | 70.3° | 60.0° |
| C13 | C14 | C15 | H14A | 119.9° | 120.0° |
| C13 | C14 | C15 | H14B | 119.9° | 120.0° |
| C14 | C13 | H13A | H13B | 117.5° | 120.0° |
| C13 | C14 | C15 | H15A | 180.0° | 60.0° |
| C13 | C14 | C15 | H15B | 60.0° | 60.0° |
| C13 | C14 | C15 | H15C | 60.0° | 180.0° |
| C14 | C13 | C12 | H12A | 41.3° | 59.9° |
| C14 | C13 | C12 | H12B | 78.1° | 60.0° |
| C13 | C14 | H14A | H14B | 120.2° | 120.1° |
| C15 | C14 | C13 | H13A | 69.4° | 60.0° |
| C15 | C14 | C13 | H13B | 48.9° | 60.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15C | 120.0° | 120.0° |
| C14 | C15 | H15B | H15C | 120.0° | 120.0° |
| C15 | C14 | H14A | H14B | 120.2° | 120.0° |
| O16 | C10 | C9 | H9A | 71.0° | 175.0° |
| O16 | C10 | C9 | H9B | 47.6° | 55.0° |
| O16 | C10 | C11 | H11A | 175.4° | 175.0° |
| O16 | C10 | C11 | H11B | 67.0° | 55.0° |
| O17 | C8 | N7 | H7 | 179.0° | 180.0° |
| O17 | C8 | C9 | H9A | 173.8° | 120.0° |
| O17 | C8 | C9 | H9B | 55.1° | 120.0° |
| C2 | O6 | C5 | H5A | 104.1° | 98.0° |
| C2 | O6 | C5 | H5B | 134.6° | 140.5° |
| O6 | C2 | C3 | H3 | 90.1° | 149.1° |
| H4A | C4 | C5 | H5A | 28.6° | 123.5° |
| H4A | C4 | C5 | H5B | 92.6° | 1.9° |
| H4A | C4 | C3 | H3 | 36.2° | 106.6° |
| H4B | C4 | C5 | H5A | 150.9° | 0.4° |
| H4B | C4 | C5 | H5B | 29.6° | 121.1° |
| H4B | C4 | C3 | H3 | 158.4° | 16.5° |
| H10 | C10 | C9 | H9A | 175.2° | 65.0° |
| H10 | C10 | C9 | H9B | 66.2° | 174.9° |
| H10 | C10 | C11 | H11A | 59.4° | 65.1° |
| H10 | C10 | C11 | H11B | 177.0° | 175.0° |
| H10 | C10 | O16 | H16 | 67.0° | 180.0° |
| H13A | C13 | C12 | H12A | 162.1° | 60.1° |
| H13A | C13 | C12 | H12B | 42.6° | 180.0° |
| H13A | C13 | C14 | H14A | 170.7° | 180.0° |
| H13A | C13 | C14 | H14B | 50.5° | 59.9° |
| H13B | C13 | C12 | H12A | 79.6° | 179.9° |
| H13B | C13 | C12 | H12B | 161.0° | 60.0° |
| H13B | C13 | C14 | H14A | 71.0° | 60.0° |
| H13B | C13 | C14 | H14B | 168.9° | 179.9° |
| H15A | C15 | H15B | H15C | 120.0° | 120.1° |
| H15A | C15 | C14 | H14A | 60.1° | 180.0° |
| H15A | C15 | C14 | H14B | 60.0° | 60.0° |
| H15B | C15 | C14 | H14A | 179.9° | 60.0° |
| H15B | C15 | C14 | H14B | 60.0° | 179.9° |
| H15C | C15 | C14 | H14A | 59.9° | 59.9° |
| H15C | C15 | C14 | H14B | 180.0° | 60.1° |
| H3 | C3 | N7 | H7 | 158.4° | 143.5° |
| H11A | C11 | C12 | H12A | 130.4° | 60.0° |
| H11A | C11 | C12 | H12B | 110.2° | 179.9° |
| H11B | C11 | C12 | H12A | 12.7° | 180.0° |
| H11B | C11 | C12 | H12B | 132.1° | 60.0° |
