A1L9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | O6 | sing | 1.43Å | 1.44Å | |
| O8 | C15 | doub | 1.21Å | 1.25Å | |
| C6 | O1 | doub | 1.21Å | 1.20Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| O6 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | N2 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C15 | O7 | sing | 1.35Å | 1.26Å | |
| C15 | C3 | sing | 1.49Å | 1.52Å | |
| N1 | C3 | doub | 1.27Å | 1.32Å | |
| N1 | C4 | sing | 1.45Å | 1.46Å | |
| C3 | C2 | sing | 1.47Å | 1.38Å | |
| N2 | C7 | sing | 1.35Å | 1.35Å | |
| C4 | S3 | sing | 1.82Å | 1.81Å | |
| S3 | C14 | sing | 1.82Å | 1.81Å | |
| C2 | C14 | sing | 1.52Å | 1.50Å | |
| C2 | C1 | doub | 1.33Å | 1.34Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | O2 | doub | 1.21Å | 1.23Å | |
| S1 | C8 | sing | 1.82Å | 1.83Å | |
| S1 | C9 | sing | 1.82Å | 1.71Å | |
| C8 | S2 | sing | 1.82Å | 1.84Å | |
| O4 | C12 | doub | 1.21Å | 1.26Å | |
| C9 | S2 | sing | 1.82Å | 1.74Å | |
| C9 | C10 | sing | 1.53Å | 1.39Å | |
| C12 | C10 | sing | 1.51Å | 1.53Å | |
| C12 | O5 | sing | 1.34Å | 1.26Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | N3 | sing | 1.35Å | 1.33Å | |
| C11 | O3 | doub | 1.21Å | 1.24Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| O5 | H17 | sing | 0.97Å | 0.95Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| O7 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O6 | C5 | 114.6° | 114.0° |
| O6 | C13 | H9 | 109.5° | 109.5° |
| O6 | C13 | H10 | 109.5° | 109.5° |
| O6 | C13 | H11 | 109.5° | 109.5° |
| O8 | C15 | O7 | 127.6° | 120.0° |
| O8 | C15 | C3 | 116.0° | 120.0° |
| O1 | C6 | C5 | 124.0° | 120.0° |
| O1 | C6 | H6 | 118.0° | 120.0° |
| C6 | C5 | O6 | 101.0° | 109.4° |
| C6 | C5 | N2 | 121.2° | 109.5° |
| C6 | C5 | C4 | 109.5° | 109.5° |
| C5 | C6 | H6 | 118.0° | 120.0° |
| O6 | C5 | N2 | 100.5° | 109.5° |
| O6 | C5 | C4 | 110.5° | 109.5° |
| N2 | C5 | C4 | 112.7° | 109.5° |
| C5 | N2 | C7 | 131.7° | 120.0° |
| C5 | N2 | H15 | 114.2° | 120.0° |
| C5 | C4 | N1 | 112.9° | 109.4° |
| C5 | C4 | S3 | 113.3° | 109.3° |
| C5 | C4 | H5 | 109.3° | 109.2° |
| O7 | C15 | C3 | 116.4° | 120.0° |
| C15 | O7 | H20 | 109.5° | 117.0° |
| C15 | C3 | N1 | 115.5° | 116.9° |
| C15 | C3 | C2 | 124.2° | 116.9° |
| C3 | N1 | C4 | 110.5° | 127.8° |
| N1 | C3 | C2 | 120.3° | 126.3° |
| N1 | C4 | S3 | 105.0° | 110.3° |
| N1 | C4 | H5 | 110.0° | 109.3° |
| C3 | C2 | C14 | 119.6° | 119.3° |
| C3 | C2 | C1 | 122.7° | 120.3° |
| N2 | C7 | C8 | 115.7° | 120.0° |
| N2 | C7 | O2 | 125.3° | 120.0° |
| C7 | N2 | H15 | 114.1° | 120.0° |
| C4 | S3 | C14 | 94.6° | 101.4° |
| S3 | C4 | H5 | 106.1° | 109.3° |
| S3 | C14 | C2 | 115.8° | 106.7° |
| S3 | C14 | H18 | 107.9° | 110.0° |
| S3 | C14 | H19 | 107.9° | 110.0° |
| C14 | C2 | C1 | 117.6° | 120.3° |
| C2 | C14 | H18 | 107.9° | 110.0° |
| C2 | C14 | H19 | 107.8° | 110.0° |
| C2 | C1 | H12 | 120.0° | 120.0° |
| C2 | C1 | H13 | 120.0° | 120.0° |
| C8 | C7 | O2 | 118.8° | 120.0° |
| C7 | C8 | S1 | 107.2° | 113.6° |
| C7 | C8 | S2 | 109.5° | 113.7° |
| C7 | C8 | H7 | 120.1° | 112.9° |
| C8 | S1 | C9 | 90.6° | 86.9° |
| S1 | C8 | S2 | 86.5° | 86.9° |
| S1 | C8 | H7 | 114.3° | 113.7° |
| S1 | C9 | S2 | 93.2° | 86.9° |
| S1 | C9 | C10 | 133.2° | 113.6° |
| S1 | C9 | H16 | 90.2° | 113.7° |
| C8 | S2 | C9 | 89.5° | 86.9° |
| S2 | C8 | H7 | 114.2° | 113.7° |
| O4 | C12 | C10 | 120.4° | 120.0° |
| O4 | C12 | O5 | 119.2° | 120.0° |
| S2 | C9 | C10 | 133.6° | 113.6° |
| S2 | C9 | H16 | 90.2° | 113.6° |
| C9 | C10 | C12 | 122.7° | 109.5° |
| C9 | C10 | C11 | 115.5° | 109.5° |
| C9 | C10 | H8 | 90.0° | 109.5° |
| C10 | C9 | H16 | 90.4° | 113.0° |
| C10 | C12 | O5 | 120.4° | 120.0° |
| C12 | C10 | C11 | 121.8° | 109.5° |
| C12 | C10 | H8 | 90.0° | 109.5° |
| C12 | O5 | H17 | 109.5° | 117.0° |
| C10 | C11 | N3 | 119.2° | 120.0° |
| C10 | C11 | O3 | 122.0° | 120.0° |
| C11 | C10 | H8 | 90.0° | 109.4° |
| N3 | C11 | O3 | 118.7° | 120.0° |
| C11 | N3 | H3 | 120.0° | 120.0° |
| C11 | N3 | H4 | 120.0° | 120.0° |
| H3 | N3 | H4 | 120.0° | 120.0° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H9 | C13 | H11 | 109.4° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C1 | H13 | 120.0° | 120.0° |
| H18 | C14 | H19 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | O6 | C5 | C6 | 70.6° | 180.0° |
| C13 | O6 | C5 | N2 | 54.3° | 60.0° |
| C13 | O6 | C5 | C4 | 173.5° | 60.0° |
| O6 | C13 | H9 | H10 | 120.0° | 120.0° |
| O6 | C13 | H9 | H11 | 120.0° | 120.0° |
| O6 | C13 | H10 | H11 | 120.0° | 120.0° |
| O8 | C15 | O7 | C3 | 179.8° | 179.9° |
| O8 | C15 | C3 | N1 | 51.6° | 173.4° |
| O8 | C15 | C3 | C2 | 128.7° | 6.6° |
| O8 | C15 | O7 | H20 | 0.0° | 0.1° |
| O1 | C6 | C5 | H6 | 180.0° | 179.9° |
| O1 | C6 | C5 | O6 | 159.2° | 120.0° |
| O1 | C6 | C5 | N2 | 91.3° | 0.1° |
| O1 | C6 | C5 | C4 | 42.6° | 120.0° |
| C6 | C5 | O6 | N2 | 124.9° | 120.0° |
| C6 | C5 | O6 | C4 | 115.9° | 120.0° |
| C6 | C5 | N2 | C4 | 132.6° | 120.1° |
| C6 | C5 | C4 | N1 | 43.2° | 56.3° |
| C6 | C5 | N2 | C7 | 125.5° | 73.4° |
| C6 | C5 | C4 | S3 | 162.4° | 64.5° |
| C6 | C5 | C4 | H5 | 79.6° | 175.9° |
| C6 | C5 | N2 | H15 | 54.4° | 106.6° |
| O6 | C5 | N2 | C4 | 117.7° | 120.0° |
| O6 | C5 | C4 | N1 | 67.2° | 176.3° |
| O6 | C5 | N2 | C7 | 124.7° | 46.5° |
| O6 | C5 | C4 | S3 | 52.0° | 55.5° |
| O6 | C5 | C4 | H5 | 170.0° | 64.1° |
| O6 | C5 | C6 | H6 | 20.8° | 60.1° |
| C5 | O6 | C13 | H9 | 180.0° | 60.0° |
| C5 | O6 | C13 | H10 | 60.0° | 60.0° |
| C5 | O6 | C13 | H11 | 60.0° | 180.0° |
| O6 | C5 | N2 | H15 | 55.3° | 133.4° |
| N2 | C5 | C4 | N1 | 178.7° | 63.7° |
| C5 | N2 | C7 | H15 | 180.0° | 180.0° |
| N2 | C5 | C4 | S3 | 59.6° | 175.5° |
| C5 | N2 | C7 | C8 | 145.5° | 175.5° |
| C5 | N2 | C7 | O2 | 40.7° | 4.4° |
| N2 | C5 | C4 | H5 | 58.5° | 55.9° |
| N2 | C5 | C6 | H6 | 88.7° | 180.0° |
| C5 | C4 | N1 | C3 | 154.9° | 143.4° |
| C5 | C4 | N1 | S3 | 123.8° | 120.3° |
| C5 | C4 | N1 | H5 | 122.4° | 119.5° |
| C4 | C5 | N2 | C7 | 7.0° | 166.5° |
| C5 | C4 | S3 | H5 | 119.9° | 119.5° |
| C5 | C4 | S3 | C14 | 177.6° | 167.4° |
| C4 | C5 | C6 | H6 | 137.5° | 59.9° |
| C4 | C5 | N2 | H15 | 173.0° | 13.5° |
| O7 | C15 | C3 | N1 | 128.2° | 6.5° |
| O7 | C15 | C3 | C2 | 51.5° | 173.4° |
| C15 | C3 | N1 | C2 | 179.7° | 180.0° |
| C15 | C3 | N1 | C4 | 143.2° | 179.0° |
| C15 | C3 | C2 | C14 | 156.7° | 167.6° |
| C15 | C3 | C2 | C1 | 23.1° | 12.4° |
| C3 | C15 | O7 | H20 | 179.8° | 180.0° |
| C3 | N1 | C4 | S3 | 81.3° | 23.1° |
| N1 | C3 | C2 | C14 | 23.5° | 12.5° |
| N1 | C3 | C2 | C1 | 156.6° | 167.6° |
| C3 | N1 | C4 | H5 | 32.5° | 97.1° |
| C4 | N1 | C3 | C2 | 36.6° | 1.1° |
| N1 | C4 | S3 | H5 | 116.5° | 120.2° |
| N1 | C4 | S3 | C14 | 58.8° | 47.2° |
| C3 | C2 | C14 | S3 | 32.9° | 42.0° |
| C3 | C2 | C14 | C1 | 179.9° | 179.9° |
| C3 | C2 | C1 | H12 | 179.9° | 171.1° |
| C3 | C2 | C1 | H13 | 0.1° | 9.0° |
| C3 | C2 | C14 | H18 | 88.0° | 77.2° |
| C3 | C2 | C14 | H19 | 153.8° | 161.3° |
| N2 | C7 | C8 | O2 | 174.2° | 180.0° |
| N2 | C7 | C8 | S1 | 79.8° | 57.7° |
| N2 | C7 | C8 | S2 | 172.2° | 155.0° |
| N2 | C7 | C8 | H7 | 52.8° | 73.7° |
| C4 | S3 | C14 | C2 | 8.5° | 55.5° |
| C4 | S3 | C14 | H18 | 129.4° | 63.8° |
| C4 | S3 | C14 | H19 | 112.4° | 174.8° |
| S3 | C14 | C2 | H18 | 120.9° | 119.3° |
| S3 | C14 | C2 | H19 | 120.9° | 119.3° |
| S3 | C14 | C2 | C1 | 147.2° | 138.0° |
| C14 | S3 | C4 | H5 | 57.7° | 73.0° |
| S3 | C14 | H18 | H19 | 117.1° | 121.3° |
| C14 | C2 | C1 | H12 | 0.0° | 8.9° |
| C14 | C2 | C1 | H13 | 180.0° | 171.1° |
| C2 | C14 | H18 | H19 | 117.1° | 121.4° |
| C2 | C1 | H12 | H13 | 180.0° | 179.9° |
| C1 | C2 | C14 | H18 | 91.9° | 102.7° |
| C1 | C2 | C14 | H19 | 26.3° | 18.8° |
| C7 | C8 | S1 | S2 | 109.3° | 114.5° |
| C7 | C8 | S1 | H7 | 135.7° | 131.0° |
| C7 | C8 | S1 | C9 | 113.0° | 140.8° |
| C7 | C8 | S2 | H7 | 137.9° | 130.9° |
| C7 | C8 | S2 | C9 | 110.6° | 140.7° |
| C8 | C7 | N2 | H15 | 34.5° | 4.5° |
| O2 | C7 | C8 | S1 | 94.3° | 122.3° |
| O2 | C7 | C8 | S2 | 2.0° | 25.0° |
| O2 | C7 | C8 | H7 | 133.0° | 106.3° |
| O2 | C7 | N2 | H15 | 139.2° | 175.6° |
| S1 | C8 | S2 | H7 | 115.1° | 114.6° |
| C8 | S1 | C9 | S2 | 3.9° | 26.3° |
| C8 | S1 | C9 | C10 | 177.1° | 140.7° |
| C8 | S1 | C9 | H16 | 86.4° | 88.2° |
| S1 | C9 | S2 | C10 | 179.0° | 114.5° |
| S1 | C9 | S2 | H16 | 90.3° | 114.5° |
| S1 | C9 | C10 | H16 | 90.7° | 131.4° |
| S1 | C9 | C10 | C12 | 22.0° | 64.9° |
| S1 | C9 | C10 | C11 | 158.1° | 175.0° |
| C9 | S1 | C8 | H7 | 111.3° | 88.2° |
| S1 | C9 | C10 | H8 | 68.1° | 55.1° |
| C8 | S2 | C9 | C10 | 177.1° | 140.7° |
| C8 | S2 | C9 | H16 | 86.4° | 88.2° |
| O4 | C12 | C10 | C9 | 6.9° | 0.1° |
| O4 | C12 | C10 | O5 | 179.8° | 179.9° |
| O4 | C12 | C10 | C11 | 173.2° | 120.0° |
| O4 | C12 | C10 | H8 | 83.1° | 120.0° |
| O4 | C12 | O5 | H17 | 0.0° | 0.0° |
| S2 | C9 | C10 | H16 | 90.7° | 131.4° |
| S2 | C9 | C10 | C12 | 156.7° | 32.3° |
| S2 | C9 | C10 | C11 | 23.2° | 87.7° |
| C9 | S2 | C8 | H7 | 111.5° | 88.3° |
| S2 | C9 | C10 | H8 | 113.3° | 152.3° |
| C9 | C10 | C12 | C11 | 179.9° | 120.0° |
| C9 | C10 | C12 | H8 | 90.1° | 120.0° |
| C9 | C10 | C12 | O5 | 173.2° | 180.0° |
| C9 | C10 | C11 | H8 | 90.0° | 120.0° |
| C9 | C10 | C11 | N3 | 10.3° | 180.0° |
| C9 | C10 | C11 | O3 | 170.5° | 0.0° |
| C12 | C10 | C11 | H8 | 90.0° | 120.0° |
| C12 | C10 | C11 | N3 | 169.8° | 60.0° |
| C12 | C10 | C11 | O3 | 9.4° | 120.0° |
| C12 | C10 | C9 | H16 | 112.6° | 163.7° |
| C10 | C12 | O5 | H17 | 179.8° | 180.0° |
| O5 | C12 | C10 | C11 | 6.7° | 60.0° |
| O5 | C12 | C10 | H8 | 96.7° | 60.0° |
| C10 | C11 | N3 | O3 | 179.2° | 180.0° |
| C10 | C11 | N3 | H3 | 179.2° | 0.1° |
| C10 | C11 | N3 | H4 | 0.8° | 180.0° |
| C11 | C10 | C9 | H16 | 67.4° | 43.6° |
| C11 | N3 | H3 | H4 | 180.0° | 179.9° |
| N3 | C11 | C10 | H8 | 79.7° | 60.0° |
| O3 | C11 | N3 | H3 | 0.0° | 180.0° |
| O3 | C11 | N3 | H4 | 180.0° | 0.1° |
| O3 | C11 | C10 | H8 | 99.4° | 120.0° |
| H8 | C10 | C9 | H16 | 22.6° | 76.3° |
| H9 | C13 | H10 | H11 | 120.0° | 120.0° |
