A1L7C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| C6 | N2 | sing | 1.47Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| N2 | C7 | sing | 1.35Å | 1.32Å | |
| O2 | C7 | doub | 1.21Å | 1.22Å | |
| C9 | N3 | sing | 1.47Å | 1.44Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| O6 | P | sing | 1.61Å | 1.61Å | |
| N3 | C10 | sing | 1.35Å | 1.34Å | |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| P | O4 | sing | 1.61Å | 1.60Å | |
| P | O5 | doub | 1.48Å | 1.48Å | |
| O4 | C13 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C11 | O7 | sing | 1.43Å | 1.44Å | |
| O6 | H2 | sing | 0.97Å | 0.95Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O7 | H12 | sing | 0.97Å | 0.95Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| N1 | H27 | sing | 0.97Å | 1.00Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| P | O8 | sing | 1.61Å | 37.79Å | |
| O8 | H1 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O1 | 121.9° | 120.0° |
| C1 | C2 | N1 | 116.4° | 120.0° |
| C2 | C1 | H28 | 109.5° | 109.5° |
| C2 | C1 | H29 | 109.5° | 109.5° |
| C2 | C1 | H30 | 109.5° | 109.5° |
| O1 | C2 | N1 | 121.7° | 120.0° |
| C2 | N1 | C3 | 121.4° | 120.0° |
| C2 | N1 | H27 | 119.3° | 120.0° |
| N1 | C3 | C4 | 111.1° | 109.5° |
| N1 | C3 | H25 | 109.1° | 109.4° |
| N1 | C3 | H26 | 109.1° | 109.5° |
| C3 | N1 | H27 | 119.3° | 120.0° |
| N2 | C6 | C5 | 108.1° | 109.5° |
| C6 | N2 | C7 | 122.0° | 120.0° |
| C6 | N2 | H18 | 119.0° | 120.0° |
| N2 | C6 | H19 | 109.8° | 109.5° |
| N2 | C6 | H20 | 109.8° | 109.5° |
| C6 | C5 | C4 | 111.7° | 109.5° |
| C5 | C6 | H19 | 109.8° | 109.5° |
| C5 | C6 | H20 | 109.8° | 109.5° |
| C6 | C5 | H21 | 108.9° | 109.5° |
| C6 | C5 | H22 | 108.9° | 109.5° |
| C3 | C4 | C5 | 110.9° | 109.5° |
| C3 | C4 | H23 | 109.1° | 109.5° |
| C3 | C4 | H24 | 109.1° | 109.5° |
| C4 | C3 | H25 | 109.1° | 109.4° |
| C4 | C3 | H26 | 109.1° | 109.5° |
| C4 | C5 | H21 | 108.9° | 109.5° |
| C4 | C5 | H22 | 108.9° | 109.4° |
| C5 | C4 | H23 | 109.1° | 109.5° |
| C5 | C4 | H24 | 109.1° | 109.5° |
| N2 | C7 | O2 | 125.1° | 120.1° |
| N2 | C7 | C8 | 114.8° | 120.0° |
| C7 | N2 | H18 | 119.0° | 120.0° |
| O2 | C7 | C8 | 120.0° | 119.9° |
| N3 | C9 | C8 | 113.3° | 109.5° |
| C9 | N3 | C10 | 123.5° | 120.0° |
| C9 | N3 | H13 | 118.2° | 120.0° |
| N3 | C9 | H14 | 108.5° | 109.5° |
| N3 | C9 | H15 | 108.5° | 109.5° |
| C9 | C8 | C7 | 110.9° | 109.5° |
| C8 | C9 | H14 | 108.5° | 109.5° |
| C8 | C9 | H15 | 108.5° | 109.5° |
| C9 | C8 | H16 | 109.1° | 109.5° |
| C9 | C8 | H17 | 109.1° | 109.5° |
| C7 | C8 | H16 | 109.1° | 109.5° |
| C7 | C8 | H17 | 109.1° | 109.4° |
| O6 | P | O4 | 115.0° | 109.5° |
| O6 | P | O5 | 110.6° | 109.5° |
| P | O6 | H2 | 109.5° | 114.0° |
| O6 | P | O8 | 81.6° | 109.5° |
| N3 | C10 | C11 | 114.7° | 120.0° |
| N3 | C10 | O3 | 126.1° | 120.0° |
| C10 | N3 | H13 | 118.2° | 120.0° |
| C14 | C12 | C13 | 107.8° | 109.5° |
| C14 | C12 | C11 | 113.8° | 109.5° |
| C14 | C12 | C15 | 109.1° | 109.5° |
| C12 | C14 | H5 | 109.5° | 109.5° |
| C12 | C14 | H6 | 109.5° | 109.5° |
| C12 | C14 | H7 | 109.5° | 109.5° |
| O4 | P | O5 | 111.6° | 109.4° |
| P | O4 | C13 | 119.2° | 123.0° |
| O4 | P | O8 | 34.4° | 109.5° |
| O5 | P | O8 | 120.2° | 109.4° |
| O4 | C13 | C12 | 110.8° | 109.4° |
| O4 | C13 | H3 | 109.2° | 109.5° |
| O4 | C13 | H4 | 109.2° | 109.5° |
| C11 | C10 | O3 | 119.1° | 120.0° |
| C10 | C11 | C12 | 107.8° | 109.5° |
| C10 | C11 | O7 | 110.7° | 109.5° |
| C10 | C11 | H11 | 108.7° | 109.5° |
| C13 | C12 | C11 | 106.0° | 109.4° |
| C13 | C12 | C15 | 108.5° | 109.5° |
| C12 | C13 | H3 | 109.2° | 109.5° |
| C12 | C13 | H4 | 109.2° | 109.5° |
| C11 | C12 | C15 | 111.4° | 109.5° |
| C12 | C11 | O7 | 112.0° | 109.5° |
| C12 | C11 | H11 | 108.2° | 109.5° |
| C12 | C15 | H8 | 109.5° | 109.5° |
| C12 | C15 | H9 | 109.5° | 109.5° |
| C12 | C15 | H10 | 109.5° | 109.5° |
| O7 | C11 | H11 | 109.4° | 109.5° |
| C11 | O7 | H12 | 109.5° | 114.0° |
| H3 | C13 | H4 | 109.4° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H5 | C14 | H7 | 109.5° | 109.4° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H10 | 109.4° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| H19 | C6 | H20 | 109.5° | 109.5° |
| H21 | C5 | H22 | 109.5° | 109.5° |
| H23 | C4 | H24 | 109.5° | 109.5° |
| H25 | C3 | H26 | 109.5° | 109.5° |
| H28 | C1 | H29 | 109.5° | 109.5° |
| H28 | C1 | H30 | 109.4° | 109.5° |
| H29 | C1 | H30 | 109.5° | 109.5° |
| P | O8 | H1 | 90.0° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O1 | N1 | 177.8° | 179.9° |
| C1 | C2 | N1 | C3 | 171.9° | 180.0° |
| C1 | C2 | N1 | H27 | 8.1° | 0.0° |
| C2 | C1 | H28 | H29 | 120.0° | 120.0° |
| C2 | C1 | H28 | H30 | 120.0° | 120.0° |
| C2 | C1 | H29 | H30 | 120.0° | 120.0° |
| O1 | C2 | N1 | C3 | 6.0° | 0.1° |
| O1 | C2 | N1 | H27 | 174.0° | 179.9° |
| O1 | C2 | C1 | H28 | 0.0° | 89.9° |
| O1 | C2 | C1 | H29 | 120.0° | 30.0° |
| O1 | C2 | C1 | H30 | 120.0° | 150.1° |
| C2 | N1 | C3 | H27 | 180.0° | 180.0° |
| C2 | N1 | C3 | C4 | 86.7° | 180.0° |
| C2 | N1 | C3 | H25 | 33.5° | 60.1° |
| C2 | N1 | C3 | H26 | 153.0° | 59.9° |
| N1 | C2 | C1 | H28 | 177.9° | 90.0° |
| N1 | C2 | C1 | H29 | 62.1° | 150.0° |
| N1 | C2 | C1 | H30 | 57.9° | 30.0° |
| N1 | C3 | C4 | H25 | 120.2° | 119.9° |
| N1 | C3 | C4 | H26 | 120.3° | 120.0° |
| N1 | C3 | C4 | C5 | 154.1° | 180.0° |
| N1 | C3 | C4 | H23 | 85.7° | 60.0° |
| N1 | C3 | C4 | H24 | 33.8° | 60.0° |
| N1 | C3 | H25 | H26 | 119.3° | 120.0° |
| N2 | C6 | C5 | H19 | 119.8° | 120.0° |
| N2 | C6 | C5 | H20 | 119.8° | 120.0° |
| N2 | C6 | C5 | C4 | 141.4° | 180.0° |
| C6 | N2 | C7 | H18 | 180.0° | 180.0° |
| C6 | N2 | C7 | O2 | 4.0° | 0.0° |
| C6 | N2 | C7 | C8 | 173.3° | 180.0° |
| N2 | C6 | H19 | H20 | 120.6° | 120.0° |
| N2 | C6 | C5 | H21 | 21.1° | 60.0° |
| N2 | C6 | C5 | H22 | 98.3° | 60.0° |
| C6 | C5 | C4 | C3 | 114.6° | 180.0° |
| C6 | C5 | C4 | H21 | 120.3° | 120.1° |
| C6 | C5 | C4 | H22 | 120.3° | 120.0° |
| C5 | C6 | N2 | C7 | 105.5° | 180.0° |
| C5 | C6 | N2 | H18 | 74.5° | 0.0° |
| C5 | C6 | H19 | H20 | 120.7° | 120.0° |
| C6 | C5 | H21 | H22 | 119.0° | 120.0° |
| C6 | C5 | C4 | H23 | 125.2° | 60.0° |
| C6 | C5 | C4 | H24 | 5.6° | 60.0° |
| C3 | C4 | C5 | H23 | 120.2° | 120.0° |
| C3 | C4 | C5 | H24 | 120.2° | 120.0° |
| C3 | C4 | C5 | H21 | 125.1° | 60.0° |
| C3 | C4 | C5 | H22 | 5.7° | 60.0° |
| C3 | C4 | H23 | H24 | 119.3° | 120.0° |
| C4 | C3 | H25 | H26 | 119.3° | 120.1° |
| C4 | C3 | N1 | H27 | 93.3° | 0.0° |
| C4 | C5 | C6 | H19 | 98.8° | 60.0° |
| C4 | C5 | C6 | H20 | 21.7° | 60.0° |
| C4 | C5 | H21 | H22 | 119.0° | 120.0° |
| C5 | C4 | H23 | H24 | 119.4° | 120.0° |
| C5 | C4 | C3 | H25 | 33.8° | 60.1° |
| C5 | C4 | C3 | H26 | 85.7° | 60.0° |
| N2 | C7 | O2 | C8 | 177.2° | 180.0° |
| N2 | C7 | C8 | C9 | 62.5° | 180.0° |
| N2 | C7 | C8 | H16 | 57.7° | 60.0° |
| N2 | C7 | C8 | H17 | 177.2° | 60.0° |
| C7 | N2 | C6 | H19 | 14.3° | 60.0° |
| C7 | N2 | C6 | H20 | 134.7° | 60.0° |
| O2 | C7 | C8 | C9 | 120.0° | 0.0° |
| O2 | C7 | C8 | H16 | 119.8° | 120.0° |
| O2 | C7 | C8 | H17 | 0.2° | 120.0° |
| O2 | C7 | N2 | H18 | 176.0° | 180.0° |
| N3 | C9 | C8 | H14 | 120.6° | 120.0° |
| N3 | C9 | C8 | H15 | 120.6° | 120.0° |
| N3 | C9 | C8 | C7 | 160.8° | 180.0° |
| C9 | N3 | C10 | H13 | 180.0° | 180.0° |
| C9 | N3 | C10 | C11 | 168.9° | 175.6° |
| C9 | N3 | C10 | O3 | 7.4° | 4.5° |
| N3 | C9 | H14 | H15 | 118.3° | 120.0° |
| N3 | C9 | C8 | H16 | 40.6° | 60.0° |
| N3 | C9 | C8 | H17 | 79.0° | 60.0° |
| C9 | C8 | C7 | H16 | 120.2° | 120.0° |
| C9 | C8 | C7 | H17 | 120.3° | 120.0° |
| C8 | C9 | N3 | C10 | 20.6° | 180.0° |
| C8 | C9 | N3 | H13 | 159.4° | 0.0° |
| C8 | C9 | H14 | H15 | 118.2° | 120.0° |
| C9 | C8 | H16 | H17 | 119.4° | 120.0° |
| C7 | C8 | C9 | H14 | 78.6° | 60.0° |
| C7 | C8 | C9 | H15 | 40.2° | 60.0° |
| C7 | C8 | H16 | H17 | 119.3° | 120.0° |
| C8 | C7 | N2 | H18 | 6.7° | 0.0° |
| O6 | P | O4 | O5 | 127.1° | 120.0° |
| O6 | P | O4 | O8 | 14.8° | 120.1° |
| O6 | P | O5 | O8 | 92.2° | 120.0° |
| O6 | P | O4 | C13 | 141.8° | 65.0° |
| O6 | P | O8 | H1 | 90.0° | 59.9° |
| N3 | C10 | C11 | O3 | 176.5° | 179.9° |
| N3 | C10 | C11 | C12 | 95.6° | 68.5° |
| N3 | C10 | C11 | O7 | 141.6° | 171.5° |
| N3 | C10 | C11 | H11 | 21.5° | 51.5° |
| C10 | N3 | C9 | H14 | 100.0° | 60.1° |
| C10 | N3 | C9 | H15 | 141.2° | 60.0° |
| C14 | C12 | C13 | O4 | 65.4° | 60.0° |
| C14 | C12 | C11 | C10 | 45.2° | 65.6° |
| C14 | C12 | C13 | C11 | 122.3° | 120.0° |
| C14 | C12 | C13 | C15 | 118.0° | 120.0° |
| C14 | C12 | C11 | C15 | 123.9° | 120.0° |
| C14 | C12 | C11 | O7 | 167.2° | 174.4° |
| C14 | C12 | C13 | H3 | 174.4° | 180.0° |
| C14 | C12 | C13 | H4 | 54.8° | 60.0° |
| C12 | C14 | H5 | H6 | 120.0° | 120.0° |
| C12 | C14 | H5 | H7 | 120.0° | 120.0° |
| C12 | C14 | H6 | H7 | 120.0° | 120.1° |
| C14 | C12 | C15 | H8 | 180.0° | 175.4° |
| C14 | C12 | C15 | H9 | 60.0° | 55.4° |
| C14 | C12 | C15 | H10 | 60.0° | 64.6° |
| C14 | C12 | C11 | H11 | 72.2° | 54.4° |
| O4 | P | O5 | O8 | 37.2° | 120.0° |
| P | O4 | C13 | C12 | 171.4° | 180.0° |
| O4 | P | O6 | H2 | 127.6° | 60.0° |
| P | O4 | C13 | H3 | 68.4° | 60.0° |
| P | O4 | C13 | H4 | 51.2° | 60.0° |
| O4 | P | O8 | H1 | 90.0° | 180.0° |
| O5 | P | O4 | C13 | 91.1° | 55.0° |
| O5 | P | O6 | H2 | 0.0° | 180.0° |
| O5 | P | O8 | H1 | 90.0° | 60.1° |
| O4 | C13 | C12 | H3 | 120.2° | 120.0° |
| O4 | C13 | C12 | H4 | 120.2° | 120.0° |
| O4 | C13 | C12 | C11 | 56.9° | 180.0° |
| O4 | C13 | C12 | C15 | 176.6° | 60.0° |
| O4 | C13 | H3 | H4 | 119.4° | 120.0° |
| C13 | O4 | P | O8 | 156.6° | 175.0° |
| C10 | C11 | C12 | C13 | 163.5° | 54.4° |
| C10 | C11 | C12 | O7 | 122.0° | 120.0° |
| C10 | C11 | C12 | H11 | 117.4° | 120.0° |
| C10 | C11 | C12 | C15 | 78.6° | 174.4° |
| C10 | C11 | O7 | H11 | 119.8° | 120.0° |
| C10 | C11 | O7 | H12 | 17.8° | 60.0° |
| C11 | C10 | N3 | H13 | 11.2° | 4.4° |
| O3 | C10 | C11 | C12 | 80.9° | 111.5° |
| O3 | C10 | C11 | O7 | 41.8° | 8.5° |
| O3 | C10 | C11 | H11 | 162.0° | 128.5° |
| O3 | C10 | N3 | H13 | 172.6° | 175.5° |
| C13 | C12 | C11 | C15 | 117.8° | 120.0° |
| C13 | C12 | C11 | O7 | 74.5° | 65.6° |
| C12 | C13 | H3 | H4 | 119.4° | 120.0° |
| C13 | C12 | C14 | H5 | 180.0° | 66.4° |
| C13 | C12 | C14 | H6 | 60.0° | 173.6° |
| C13 | C12 | C14 | H7 | 60.0° | 53.6° |
| C13 | C12 | C15 | H8 | 62.8° | 64.6° |
| C13 | C12 | C15 | H9 | 57.2° | 175.4° |
| C13 | C12 | C15 | H10 | 177.2° | 55.4° |
| C13 | C12 | C11 | H11 | 46.1° | 174.4° |
| C12 | C11 | O7 | H11 | 119.9° | 120.0° |
| C11 | C12 | C13 | H3 | 63.4° | 60.0° |
| C11 | C12 | C13 | H4 | 177.1° | 60.0° |
| C11 | C12 | C14 | H5 | 62.7° | 173.7° |
| C11 | C12 | C14 | H6 | 177.3° | 53.7° |
| C11 | C12 | C14 | H7 | 57.3° | 66.3° |
| C11 | C12 | C15 | H8 | 53.5° | 55.4° |
| C11 | C12 | C15 | H9 | 173.5° | 64.6° |
| C11 | C12 | C15 | H10 | 66.5° | 175.4° |
| C12 | C11 | O7 | H12 | 102.6° | 60.0° |
| C15 | C12 | C11 | O7 | 43.4° | 54.4° |
| C15 | C12 | C13 | H3 | 56.4° | 60.0° |
| C15 | C12 | C13 | H4 | 63.2° | 180.0° |
| C15 | C12 | C14 | H5 | 62.4° | 53.7° |
| C15 | C12 | C14 | H6 | 57.6° | 66.3° |
| C15 | C12 | C14 | H7 | 177.6° | 173.6° |
| C12 | C15 | H8 | H9 | 120.0° | 120.0° |
| C12 | C15 | H8 | H10 | 120.0° | 120.0° |
| C12 | C15 | H9 | H10 | 120.0° | 120.0° |
| C15 | C12 | C11 | H11 | 163.9° | 65.6° |
| H2 | O6 | P | O8 | 119.2° | 60.0° |
| H5 | C14 | H6 | H7 | 120.0° | 119.9° |
| H8 | C15 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | O7 | H12 | 137.5° | 180.0° |
| H13 | N3 | C9 | H14 | 80.0° | 120.0° |
| H13 | N3 | C9 | H15 | 38.8° | 120.0° |
| H14 | C9 | C8 | H16 | 161.2° | 180.0° |
| H14 | C9 | C8 | H17 | 41.6° | 60.0° |
| H15 | C9 | C8 | H16 | 80.0° | 60.0° |
| H15 | C9 | C8 | H17 | 160.4° | 180.0° |
| H18 | N2 | C6 | H19 | 165.7° | 120.0° |
| H18 | N2 | C6 | H20 | 45.3° | 120.0° |
| H19 | C6 | C5 | H21 | 140.9° | 180.0° |
| H19 | C6 | C5 | H22 | 21.5° | 60.0° |
| H20 | C6 | C5 | H21 | 98.7° | 60.0° |
| H20 | C6 | C5 | H22 | 142.0° | 180.0° |
| H21 | C5 | C4 | H23 | 4.9° | 180.0° |
| H21 | C5 | C4 | H24 | 114.7° | 60.0° |
| H22 | C5 | C4 | H23 | 114.5° | 60.0° |
| H22 | C5 | C4 | H24 | 125.9° | 180.0° |
| H23 | C4 | C3 | H25 | 154.0° | 179.9° |
| H23 | C4 | C3 | H26 | 34.5° | 60.0° |
| H24 | C4 | C3 | H25 | 86.4° | 60.0° |
| H24 | C4 | C3 | H26 | 154.1° | 180.0° |
| H25 | C3 | N1 | H27 | 146.5° | 119.9° |
| H26 | C3 | N1 | H27 | 26.9° | 120.1° |
| H28 | C1 | H29 | H30 | 120.0° | 120.0° |
