A1L9K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C07 | sing | 1.53Å | 1.53Å | |
| C09 | C11 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| S01 | C10 | sing | 1.81Å | 1.82Å | |
| S01 | C12 | sing | 1.76Å | 1.82Å | |
| C08 | C06 | sing | 1.53Å | 1.53Å | |
| C08 | C10 | sing | 1.53Å | 1.53Å | |
| N04 | C12 | sing | 1.36Å | 1.35Å | |
| N04 | C13 | sing | 1.35Å | 1.32Å | |
| C12 | N05 | doub | 1.32Å | 1.35Å | |
| O03 | C13 | doub | 1.22Å | 1.18Å | |
| C13 | C15 | sing | 1.40Å | 1.35Å | |
| N05 | C14 | sing | 1.34Å | 1.32Å | |
| C15 | C14 | doub | 1.38Å | 1.35Å | |
| C14 | O02 | sing | 1.35Å | 1.40Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| O02 | H021 | sing | 0.97Å | 0.95Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C09 | C11 | 110.1° | 109.5° |
| C09 | C07 | C06 | 110.0° | 109.5° |
| C09 | C07 | H072 | 109.4° | 109.5° |
| C09 | C07 | H071 | 109.3° | 109.5° |
| C07 | C09 | H092 | 109.3° | 109.5° |
| C07 | C09 | H091 | 109.3° | 109.5° |
| C09 | C11 | H113 | 109.5° | 109.4° |
| C09 | C11 | H112 | 109.5° | 109.5° |
| C09 | C11 | H111 | 109.5° | 109.4° |
| C11 | C09 | H092 | 109.3° | 109.4° |
| C11 | C09 | H091 | 109.3° | 109.4° |
| C07 | C06 | C08 | 111.3° | 109.5° |
| C07 | C06 | H062 | 109.0° | 109.4° |
| C07 | C06 | H061 | 109.0° | 109.5° |
| C06 | C07 | H072 | 109.3° | 109.5° |
| C06 | C07 | H071 | 109.3° | 109.4° |
| C10 | S01 | C12 | 110.6° | 100.0° |
| S01 | C10 | C08 | 109.9° | 109.5° |
| S01 | C10 | H102 | 109.4° | 109.4° |
| S01 | C10 | H101 | 109.3° | 109.5° |
| S01 | C12 | N04 | 119.8° | 119.4° |
| S01 | C12 | N05 | 120.1° | 119.3° |
| C06 | C08 | C10 | 110.2° | 109.4° |
| C08 | C06 | H062 | 109.0° | 109.5° |
| C08 | C06 | H061 | 109.0° | 109.5° |
| C06 | C08 | H082 | 109.3° | 109.5° |
| C06 | C08 | H081 | 109.3° | 109.5° |
| C08 | C10 | H102 | 109.4° | 109.5° |
| C08 | C10 | H101 | 109.4° | 109.5° |
| C10 | C08 | H082 | 109.3° | 109.4° |
| C10 | C08 | H081 | 109.3° | 109.5° |
| C12 | N04 | C13 | 120.0° | 120.1° |
| N04 | C12 | N05 | 120.1° | 121.3° |
| C12 | N04 | H041 | 120.0° | 119.9° |
| N04 | C13 | O03 | 120.1° | 120.6° |
| N04 | C13 | C15 | 120.1° | 118.8° |
| C13 | N04 | H041 | 120.0° | 120.0° |
| C12 | N05 | C14 | 119.9° | 121.2° |
| O03 | C13 | C15 | 119.9° | 120.6° |
| C13 | C15 | C14 | 120.0° | 118.8° |
| C13 | C15 | H151 | 120.0° | 120.6° |
| N05 | C14 | C15 | 120.0° | 119.8° |
| N05 | C14 | O02 | 120.3° | 120.1° |
| C15 | C14 | O02 | 119.7° | 120.1° |
| C14 | C15 | H151 | 120.0° | 120.6° |
| C14 | O02 | H021 | 109.5° | 114.0° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H111 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C09 | C11 | H092 | 120.1° | 120.0° |
| C07 | C09 | C11 | H091 | 120.1° | 120.0° |
| C09 | C07 | C06 | H072 | 120.1° | 120.1° |
| C09 | C07 | C06 | H071 | 120.1° | 120.0° |
| C09 | C07 | C06 | C08 | 128.9° | 180.0° |
| C07 | C09 | C11 | H113 | 180.0° | 60.0° |
| C07 | C09 | C11 | H112 | 60.0° | 180.0° |
| C07 | C09 | C11 | H111 | 60.0° | 60.0° |
| C09 | C07 | C06 | H062 | 8.6° | 60.0° |
| C09 | C07 | C06 | H061 | 110.8° | 60.0° |
| C09 | C07 | H072 | H071 | 119.8° | 120.0° |
| C07 | C09 | H092 | H091 | 119.7° | 120.0° |
| C11 | C09 | C07 | C06 | 63.9° | 180.0° |
| C09 | C11 | H113 | H112 | 120.0° | 120.0° |
| C09 | C11 | H113 | H111 | 120.0° | 119.9° |
| C09 | C11 | H112 | H111 | 120.0° | 120.0° |
| C11 | C09 | C07 | H072 | 56.2° | 60.0° |
| C11 | C09 | C07 | H071 | 176.0° | 60.0° |
| C11 | C09 | H092 | H091 | 119.7° | 119.9° |
| C07 | C06 | C08 | H062 | 120.3° | 119.9° |
| C07 | C06 | C08 | H061 | 120.3° | 120.0° |
| C07 | C06 | C08 | C10 | 87.4° | 180.0° |
| C07 | C06 | H062 | H061 | 119.1° | 120.0° |
| C06 | C07 | H072 | H071 | 119.7° | 119.9° |
| C07 | C06 | C08 | H082 | 32.7° | 60.0° |
| C07 | C06 | C08 | H081 | 152.5° | 60.0° |
| C06 | C07 | C09 | H092 | 56.2° | 60.0° |
| C06 | C07 | C09 | H091 | 176.0° | 60.0° |
| S01 | C10 | C08 | C06 | 169.5° | 180.0° |
| S01 | C10 | C08 | H102 | 120.1° | 120.0° |
| S01 | C10 | C08 | H101 | 120.0° | 120.0° |
| C10 | S01 | C12 | N04 | 154.8° | 179.5° |
| C10 | S01 | C12 | N05 | 25.2° | 0.0° |
| S01 | C10 | H102 | H101 | 119.8° | 120.0° |
| S01 | C10 | C08 | H082 | 49.4° | 60.0° |
| S01 | C10 | C08 | H081 | 70.4° | 60.0° |
| C12 | S01 | C10 | C08 | 95.2° | 180.0° |
| S01 | C12 | N04 | N05 | 180.0° | 179.5° |
| S01 | C12 | N04 | C13 | 180.0° | 179.7° |
| S01 | C12 | N05 | C14 | 180.0° | 180.0° |
| C12 | S01 | C10 | H102 | 144.7° | 60.0° |
| C12 | S01 | C10 | H101 | 24.9° | 60.0° |
| S01 | C12 | N04 | H041 | 0.0° | 0.6° |
| C06 | C08 | C10 | H082 | 120.1° | 120.0° |
| C06 | C08 | C10 | H081 | 120.1° | 120.0° |
| C06 | C08 | C10 | H102 | 49.5° | 60.0° |
| C06 | C08 | C10 | H101 | 70.4° | 60.0° |
| C08 | C06 | H062 | H061 | 119.1° | 120.1° |
| C08 | C06 | C07 | H072 | 111.0° | 59.9° |
| C08 | C06 | C07 | H071 | 8.8° | 60.0° |
| C06 | C08 | H082 | H081 | 119.7° | 120.0° |
| C08 | C10 | H102 | H101 | 119.8° | 120.1° |
| C10 | C08 | C06 | H062 | 152.4° | 60.0° |
| C10 | C08 | C06 | H061 | 32.9° | 60.0° |
| C10 | C08 | H082 | H081 | 119.7° | 120.0° |
| C12 | N04 | C13 | H041 | 180.0° | 179.7° |
| C12 | N04 | C13 | O03 | 180.0° | 180.0° |
| C12 | N04 | C13 | C15 | 0.0° | 0.0° |
| N04 | C12 | N05 | C14 | 0.0° | 0.5° |
| C13 | N04 | C12 | N05 | 0.0° | 0.3° |
| N04 | C13 | O03 | C15 | 180.0° | 180.0° |
| N04 | C13 | C15 | C14 | 0.1° | 0.0° |
| N04 | C13 | C15 | H151 | 179.9° | 180.0° |
| C12 | N05 | C14 | C15 | 0.1° | 0.5° |
| C12 | N05 | C14 | O02 | 180.0° | 179.8° |
| N05 | C12 | N04 | H041 | 180.0° | 180.0° |
| O03 | C13 | C15 | C14 | 180.0° | 180.0° |
| O03 | C13 | C15 | H151 | 0.1° | 0.0° |
| O03 | C13 | N04 | H041 | 0.0° | 0.3° |
| C13 | C15 | C14 | N05 | 0.1° | 0.2° |
| C13 | C15 | C14 | H151 | 180.0° | 180.0° |
| C13 | C15 | C14 | O02 | 179.9° | 180.0° |
| C15 | C13 | N04 | H041 | 180.0° | 179.7° |
| N05 | C14 | C15 | O02 | 179.9° | 179.8° |
| N05 | C14 | C15 | H151 | 179.9° | 179.7° |
| N05 | C14 | O02 | H021 | 0.0° | 0.3° |
| C15 | C14 | O02 | H021 | 180.0° | 180.0° |
| O02 | C14 | C15 | H151 | 0.1° | 0.0° |
| H102 | C10 | C08 | H082 | 70.7° | 180.0° |
| H102 | C10 | C08 | H081 | 169.6° | 60.0° |
| H101 | C10 | C08 | H082 | 169.5° | 60.0° |
| H101 | C10 | C08 | H081 | 49.7° | 180.0° |
| H113 | C11 | H112 | H111 | 120.0° | 120.0° |
| H113 | C11 | C09 | H092 | 59.9° | NaN° |
| H113 | C11 | C09 | H091 | 59.9° | 60.0° |
| H112 | C11 | C09 | H092 | 179.9° | 60.0° |
| H112 | C11 | C09 | H091 | 60.1° | 60.0° |
| H111 | C11 | C09 | H092 | 60.1° | 60.1° |
| H111 | C11 | C09 | H091 | 179.9° | 180.0° |
| H062 | C06 | C07 | H072 | 128.7° | 60.1° |
| H062 | C06 | C07 | H071 | 111.5° | 180.0° |
| H062 | C06 | C08 | H082 | 87.5° | 59.9° |
| H062 | C06 | C08 | H081 | 32.3° | 179.9° |
| H061 | C06 | C07 | H072 | 9.3° | 180.0° |
| H061 | C06 | C07 | H071 | 129.1° | 60.0° |
| H061 | C06 | C08 | H082 | 153.0° | 180.0° |
| H061 | C06 | C08 | H081 | 87.2° | 60.0° |
| H072 | C07 | C09 | H092 | 176.3° | 60.0° |
| H072 | C07 | C09 | H091 | 63.9° | 179.9° |
| H071 | C07 | C09 | H092 | 63.9° | 180.0° |
| H071 | C07 | C09 | H091 | 56.0° | 59.9° |
