8RX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C02 | doub | 1.30Å | 1.26Å | |
| N04 | C02 | sing | 1.38Å | 1.38Å | |
| C05 | N04 | sing | 1.47Å | 1.56Å | |
| C06 | C05 | sing | 1.55Å | 1.60Å | |
| C07 | C06 | sing | 1.55Å | 1.37Å | |
| C10 | N09 | sing | 1.46Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.61Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.47Å | 1.53Å | |
| C14 | C13 | trip | 1.17Å | 1.23Å | |
| N09 | C08 | sing | 1.35Å | 1.47Å | |
| O15 | C08 | doub | 1.21Å | 1.20Å | |
| C08 | C07 | sing | 1.51Å | 1.56Å | |
| C16 | C07 | sing | 1.54Å | 1.64Å | |
| N04 | C16 | sing | 1.47Å | 1.39Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.05Å | 1.06Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| C02 | S1 | sing | 1.76Å | 1.77Å | |
| S1 | H1 | sing | 1.41Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N03 | C02 | N04 | 118.6° | 120.0° |
| C02 | N03 | H031 | 112.0° | 120.1° |
| N03 | C02 | S1 | 130.3° | 120.0° |
| C02 | N04 | C05 | 121.9° | 125.6° |
| C02 | N04 | C16 | 127.5° | 125.7° |
| N04 | C02 | S1 | 111.0° | 120.0° |
| N04 | C05 | C06 | 99.9° | 104.8° |
| C05 | N04 | C16 | 110.6° | 108.7° |
| N04 | C05 | H051 | 111.8° | 110.4° |
| N04 | C05 | H052 | 111.8° | 110.4° |
| C05 | C06 | C07 | 108.9° | 101.6° |
| C06 | C05 | H051 | 111.8° | 110.3° |
| C06 | C05 | H052 | 111.8° | 110.5° |
| C05 | C06 | H062 | 109.6° | 111.0° |
| C05 | C06 | H061 | 109.6° | 111.0° |
| C06 | C07 | C08 | 112.9° | 110.7° |
| C06 | C07 | C16 | 101.7° | 102.9° |
| C07 | C06 | H062 | 109.6° | 111.0° |
| C07 | C06 | H061 | 109.6° | 111.1° |
| C06 | C07 | H071 | 113.7° | 110.7° |
| N09 | C10 | C11 | 102.1° | 109.5° |
| C10 | N09 | C08 | 118.3° | 120.0° |
| N09 | C10 | H102 | 111.3° | 109.5° |
| N09 | C10 | H101 | 111.3° | 109.5° |
| C10 | N09 | H091 | 120.9° | 120.0° |
| C10 | C11 | C12 | 117.9° | 109.5° |
| C11 | C10 | H102 | 111.3° | 109.5° |
| C11 | C10 | H101 | 111.3° | 109.5° |
| C10 | C11 | H111 | 107.3° | 109.5° |
| C10 | C11 | H112 | 107.3° | 109.5° |
| C11 | C12 | C13 | 109.9° | 109.5° |
| C12 | C11 | H111 | 107.3° | 109.4° |
| C12 | C11 | H112 | 107.3° | 109.4° |
| C11 | C12 | H122 | 109.4° | 109.4° |
| C11 | C12 | H121 | 109.4° | 109.4° |
| C12 | C13 | C14 | 178.1° | 180.0° |
| C13 | C12 | H122 | 109.3° | 109.5° |
| C13 | C12 | H121 | 109.3° | 109.5° |
| C13 | C14 | H141 | 180.0° | 179.9° |
| N09 | C08 | O15 | 120.1° | 120.0° |
| N09 | C08 | C07 | 116.7° | 120.0° |
| C08 | N09 | H091 | 120.8° | 120.0° |
| O15 | C08 | C07 | 123.1° | 120.0° |
| C08 | C07 | C16 | 107.8° | 110.9° |
| C08 | C07 | H071 | 110.7° | 110.6° |
| C07 | C16 | N04 | 105.8° | 107.3° |
| C16 | C07 | H071 | 109.5° | 110.7° |
| C07 | C16 | H161 | 110.4° | 109.9° |
| C07 | C16 | H162 | 110.4° | 109.9° |
| N04 | C16 | H161 | 110.4° | 109.9° |
| N04 | C16 | H162 | 110.4° | 110.0° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H051 | C05 | H052 | 109.4° | 110.4° |
| H062 | C06 | H061 | 109.4° | 110.8° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.9° |
| C02 | S1 | H1 | 102.0° | 100.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C02 | N04 | S1 | 177.5° | 179.9° |
| N03 | C02 | N04 | C05 | 2.2° | 180.0° |
| N03 | C02 | N04 | C16 | 178.6° | 0.1° |
| N03 | C02 | S1 | H1 | 180.0° | 0.0° |
| C02 | N04 | C05 | C16 | 176.9° | 179.9° |
| C02 | N04 | C05 | C06 | 169.9° | 155.8° |
| C02 | N04 | C16 | C07 | 170.2° | 178.9° |
| C02 | N04 | C05 | H051 | 51.5° | 37.0° |
| C02 | N04 | C05 | H052 | 71.7° | 85.3° |
| C02 | N04 | C16 | H161 | 70.4° | 61.7° |
| C02 | N04 | C16 | H162 | 50.8° | 59.4° |
| N04 | C02 | N03 | H031 | 176.9° | 179.9° |
| N04 | C02 | S1 | H1 | 2.9° | 180.0° |
| N04 | C05 | C06 | H051 | 118.5° | 118.8° |
| N04 | C05 | C06 | H052 | 118.4° | 118.9° |
| N04 | C05 | C06 | C07 | 29.3° | 37.0° |
| C05 | N04 | C16 | C07 | 13.1° | 1.1° |
| N04 | C05 | H051 | H052 | 124.5° | 122.3° |
| N04 | C05 | C06 | H062 | 90.6° | 155.1° |
| N04 | C05 | C06 | H061 | 149.2° | 81.2° |
| C05 | N04 | C16 | H161 | 106.3° | 118.4° |
| C05 | N04 | C16 | H162 | 132.5° | 120.5° |
| C05 | N04 | C02 | S1 | 175.3° | 0.1° |
| C05 | C06 | C07 | H062 | 119.9° | 118.1° |
| C05 | C06 | C07 | H061 | 119.9° | 118.1° |
| C05 | C06 | C07 | C08 | 78.7° | 154.1° |
| C05 | C06 | C07 | C16 | 36.4° | 35.5° |
| C06 | C05 | N04 | C16 | 7.0° | 24.1° |
| C06 | C05 | H051 | H052 | 124.4° | 122.4° |
| C05 | C06 | H062 | H061 | 120.2° | 123.9° |
| C05 | C06 | C07 | H071 | 154.1° | 82.8° |
| C06 | C07 | C08 | N09 | 64.8° | 180.0° |
| C06 | C07 | C08 | O15 | 117.6° | 0.1° |
| C06 | C07 | C08 | C16 | 111.5° | 113.6° |
| C06 | C07 | C08 | H071 | 128.8° | 123.1° |
| C06 | C07 | C16 | H071 | 120.6° | 118.3° |
| C06 | C07 | C16 | N04 | 31.6° | 22.2° |
| C07 | C06 | C05 | H051 | 147.8° | 155.8° |
| C07 | C06 | C05 | H052 | 89.1° | 81.9° |
| C07 | C06 | H062 | H061 | 120.2° | 123.9° |
| C06 | C07 | C16 | H161 | 87.9° | 141.6° |
| C06 | C07 | C16 | H162 | 151.0° | 97.4° |
| N09 | C10 | C11 | H102 | 118.8° | 120.0° |
| N09 | C10 | C11 | H101 | 118.8° | 120.1° |
| N09 | C10 | C11 | C12 | 132.7° | 180.0° |
| C10 | N09 | C08 | H091 | 180.0° | 180.0° |
| C10 | N09 | C08 | O15 | 4.1° | 0.1° |
| C10 | N09 | C08 | C07 | 178.2° | 180.0° |
| N09 | C10 | H102 | H101 | 123.4° | 120.0° |
| N09 | C10 | C11 | H111 | 106.2° | 60.0° |
| N09 | C10 | C11 | H112 | 11.5° | 60.1° |
| C10 | C11 | C12 | H111 | 121.2° | 120.0° |
| C10 | C11 | C12 | H112 | 121.2° | 120.0° |
| C10 | C11 | C12 | C13 | 178.1° | 180.0° |
| C11 | C10 | N09 | C08 | 93.5° | 180.0° |
| C11 | C10 | H102 | H101 | 123.5° | 120.0° |
| C10 | C11 | H111 | H112 | 116.2° | 120.1° |
| C10 | C11 | C12 | H122 | 58.0° | 60.0° |
| C10 | C11 | C12 | H121 | 61.9° | 60.0° |
| C11 | C10 | N09 | H091 | 86.5° | 0.0° |
| C11 | C12 | C13 | H122 | 120.1° | 120.0° |
| C11 | C12 | C13 | H121 | 120.1° | 120.0° |
| C11 | C12 | C13 | C14 | 0.4° | 58.8° |
| C12 | C11 | C10 | H102 | 13.9° | 60.0° |
| C12 | C11 | C10 | H101 | 108.6° | 60.0° |
| C12 | C11 | H111 | H112 | 116.1° | 119.9° |
| C11 | C12 | H122 | H121 | 119.8° | 119.9° |
| C13 | C12 | C11 | H111 | 60.8° | 60.0° |
| C13 | C12 | C11 | H112 | 56.8° | 60.0° |
| C13 | C12 | H122 | H121 | 119.8° | 120.0° |
| C12 | C13 | C14 | H141 | 61.4° | 143.1° |
| C14 | C13 | C12 | H122 | 120.5° | 178.8° |
| C14 | C13 | C12 | H121 | 119.7° | 61.1° |
| N09 | C08 | O15 | C07 | 177.5° | 179.9° |
| N09 | C08 | C07 | C16 | 176.2° | 66.3° |
| C08 | N09 | C10 | H102 | 25.3° | 60.0° |
| C08 | N09 | C10 | H101 | 147.7° | 59.9° |
| N09 | C08 | C07 | H071 | 64.0° | 56.9° |
| O15 | C08 | C07 | C16 | 6.2° | 113.6° |
| O15 | C08 | C07 | H071 | 113.6° | 123.2° |
| O15 | C08 | N09 | H091 | 175.9° | 179.9° |
| C08 | C07 | C16 | H071 | 120.5° | 123.2° |
| C08 | C07 | C16 | N04 | 87.4° | 140.6° |
| C08 | C07 | C06 | H062 | 161.3° | 87.8° |
| C08 | C07 | C06 | H061 | 41.2° | 36.0° |
| C08 | C07 | C16 | H161 | 153.2° | 99.9° |
| C08 | C07 | C16 | H162 | 32.0° | 21.1° |
| C07 | C08 | N09 | H091 | 1.8° | 0.0° |
| C07 | C16 | N04 | H161 | 119.4° | 119.4° |
| C07 | C16 | N04 | H162 | 119.4° | 119.5° |
| C16 | C07 | C06 | H062 | 83.5° | 153.6° |
| C16 | C07 | C06 | H061 | 156.4° | 82.6° |
| C07 | C16 | H161 | H162 | 121.7° | 121.0° |
| C16 | N04 | C05 | H051 | 125.4° | 142.9° |
| C16 | N04 | C05 | H052 | 111.4° | 94.8° |
| N04 | C16 | C07 | H071 | 152.2° | 96.2° |
| N04 | C16 | H161 | H162 | 121.7° | 121.2° |
| C16 | N04 | C02 | S1 | 1.1° | 180.0° |
| H102 | C10 | C11 | H111 | 135.0° | 60.0° |
| H102 | C10 | C11 | H112 | 107.3° | 179.9° |
| H102 | C10 | N09 | H091 | 154.7° | 120.0° |
| H101 | C10 | C11 | H111 | 12.6° | 179.9° |
| H101 | C10 | C11 | H112 | 130.2° | 60.0° |
| H101 | C10 | N09 | H091 | 32.3° | 120.0° |
| H051 | C05 | C06 | H062 | 27.8° | 86.1° |
| H051 | C05 | C06 | H061 | 92.3° | 37.6° |
| H052 | C05 | C06 | H062 | 150.9° | 36.2° |
| H052 | C05 | C06 | H061 | 30.8° | 160.0° |
| H062 | C06 | C07 | H071 | 34.1° | 35.2° |
| H061 | C06 | C07 | H071 | 86.0° | 159.0° |
| H071 | C07 | C16 | H161 | 32.7° | 23.3° |
| H071 | C07 | C16 | H162 | 88.4° | 144.3° |
| H111 | C11 | C12 | H122 | 179.2° | 60.0° |
| H111 | C11 | C12 | H121 | 59.3° | 180.0° |
| H112 | C11 | C12 | H122 | 63.2° | 180.0° |
| H112 | C11 | C12 | H121 | 176.9° | 60.0° |
| H031 | N03 | C02 | S1 | 0.0° | 0.0° |
