3C7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C09 | doub | 1.21Å | 1.25Å | |
| C09 | C08 | sing | 1.51Å | 1.51Å | |
| C09 | O11 | sing | 1.34Å | 1.25Å | |
| S01 | C02 | sing | 1.81Å | 1.81Å | |
| C08 | C12 | sing | 1.55Å | 1.54Å | |
| C08 | N07 | sing | 1.47Å | 1.46Å | |
| C12 | S13 | sing | 1.84Å | 1.77Å | |
| N07 | C03 | sing | 1.48Å | 1.47Å | |
| N07 | C06 | sing | 1.47Å | 1.45Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | S04 | sing | 1.84Å | 1.76Å | |
| S13 | C06 | sing | 1.83Å | 1.76Å | |
| C06 | C05 | sing | 1.54Å | 1.52Å | |
| S04 | C05 | sing | 1.84Å | 1.76Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| O11 | H1 | sing | 0.97Å | 0.95Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| S01 | HS01 | sing | 1.35Å | 1.30Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C09 | C08 | 117.1° | 120.0° |
| O10 | C09 | O11 | 122.6° | 120.0° |
| C08 | C09 | O11 | 120.3° | 120.0° |
| C09 | C08 | C12 | 109.1° | 109.3° |
| C09 | C08 | N07 | 116.8° | 109.4° |
| C09 | C08 | H08 | 110.2° | 109.3° |
| C09 | O11 | H1 | 109.5° | 117.0° |
| S01 | C02 | C03 | 116.0° | 109.5° |
| S01 | C02 | H021 | 107.8° | 109.5° |
| S01 | C02 | H022 | 107.8° | 109.4° |
| C02 | S01 | HS01 | 102.0° | 103.0° |
| C12 | C08 | N07 | 99.4° | 110.2° |
| C08 | C12 | S13 | 104.7° | 99.9° |
| C08 | C12 | H122 | 110.7° | 111.4° |
| C08 | C12 | H121 | 110.6° | 111.3° |
| C12 | C08 | H08 | 109.8° | 109.3° |
| C08 | N07 | C03 | 124.7° | 108.3° |
| C08 | N07 | C06 | 114.0° | 114.5° |
| N07 | C08 | H08 | 111.0° | 109.3° |
| C12 | S13 | C06 | 98.4° | 94.5° |
| S13 | C12 | H122 | 110.6° | 111.3° |
| S13 | C12 | H121 | 110.6° | 111.3° |
| C03 | N07 | C06 | 120.2° | 114.3° |
| N07 | C03 | C02 | 114.1° | 110.6° |
| N07 | C03 | S04 | 101.7° | 103.6° |
| N07 | C03 | H03 | 112.6° | 110.6° |
| N07 | C06 | S13 | 96.8° | 105.7° |
| N07 | C06 | C05 | 109.1° | 113.4° |
| N07 | C06 | H06 | 114.5° | 109.6° |
| C02 | C03 | S04 | 107.4° | 110.6° |
| C02 | C03 | H03 | 111.7° | 110.6° |
| C03 | C02 | H021 | 107.8° | 109.5° |
| C03 | C02 | H022 | 107.8° | 109.5° |
| C03 | S04 | C05 | 100.2° | 94.0° |
| S04 | C03 | H03 | 108.7° | 110.6° |
| S13 | C06 | C05 | 111.9° | 109.7° |
| S13 | C06 | H06 | 110.0° | 109.5° |
| C06 | C05 | S04 | 105.7° | 100.7° |
| C05 | C06 | H06 | 113.3° | 108.9° |
| C06 | C05 | H052 | 110.4° | 111.2° |
| C06 | C05 | H051 | 110.4° | 111.2° |
| S04 | C05 | H052 | 110.4° | 111.2° |
| S04 | C05 | H051 | 110.4° | 111.2° |
| H122 | C12 | H121 | 109.5° | 111.1° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C09 | C08 | O11 | 179.6° | 180.0° |
| O10 | C09 | C08 | C12 | 51.6° | 118.5° |
| O10 | C09 | C08 | N07 | 163.2° | 2.2° |
| O10 | C09 | O11 | H1 | 0.0° | 0.1° |
| O10 | C09 | C08 | H08 | 69.0° | 121.8° |
| C09 | C08 | C12 | N07 | 122.7° | 120.2° |
| C09 | C08 | C12 | H08 | 120.9° | 119.7° |
| C09 | C08 | N07 | H08 | 127.4° | 119.7° |
| C09 | C08 | C12 | S13 | 89.4° | 159.2° |
| C09 | C08 | N07 | C03 | 131.4° | 83.7° |
| C09 | C08 | N07 | C06 | 60.3° | 147.5° |
| C09 | C08 | C12 | H122 | 29.8° | 41.5° |
| C09 | C08 | C12 | H121 | 151.3° | 83.1° |
| C08 | C09 | O11 | H1 | 179.5° | 180.0° |
| O11 | C09 | C08 | C12 | 128.8° | 61.5° |
| O11 | C09 | C08 | N07 | 17.3° | 177.8° |
| O11 | C09 | C08 | H08 | 110.5° | 58.2° |
| S01 | C02 | C03 | N07 | 65.7° | 60.0° |
| S01 | C02 | C03 | H021 | 120.9° | 120.0° |
| S01 | C02 | C03 | H022 | 121.0° | 120.0° |
| S01 | C02 | C03 | S04 | 177.6° | 54.1° |
| S01 | C02 | C03 | H03 | 63.4° | 177.1° |
| S01 | C02 | H021 | H022 | 117.0° | 119.9° |
| C12 | C08 | N07 | H08 | 115.5° | 120.2° |
| C08 | C12 | S13 | H122 | 119.3° | 117.8° |
| C08 | C12 | S13 | H121 | 119.2° | 117.7° |
| C12 | C08 | N07 | C03 | 111.5° | 156.1° |
| C12 | C08 | N07 | C06 | 56.8° | 27.3° |
| C08 | C12 | S13 | C06 | 8.1° | 33.6° |
| C08 | C12 | H122 | H121 | 122.2° | 124.8° |
| N07 | C08 | C12 | S13 | 33.3° | 39.0° |
| C08 | N07 | C03 | C06 | 167.6° | 128.9° |
| C08 | N07 | C03 | C02 | 90.7° | 92.9° |
| C08 | N07 | C03 | S04 | 153.9° | 148.5° |
| C08 | N07 | C06 | S13 | 49.1° | 0.4° |
| C08 | N07 | C06 | C05 | 165.1° | 119.7° |
| N07 | C08 | C12 | H122 | 152.5° | 78.7° |
| N07 | C08 | C12 | H121 | 85.9° | 156.7° |
| C08 | N07 | C03 | H03 | 37.8° | 30.0° |
| C08 | N07 | C06 | H06 | 66.7° | 118.3° |
| C12 | S13 | C06 | N07 | 20.1° | 20.8° |
| C12 | S13 | C06 | C05 | 133.9° | 143.3° |
| S13 | C12 | H122 | H121 | 122.2° | 124.7° |
| S13 | C12 | C08 | H08 | 149.7° | 81.1° |
| C12 | S13 | C06 | H06 | 99.2° | 97.2° |
| N07 | C03 | C02 | S04 | 111.9° | 114.2° |
| N07 | C03 | C02 | H03 | 129.0° | 122.9° |
| N07 | C03 | S04 | H03 | 119.0° | 118.5° |
| C03 | N07 | C06 | S13 | 119.8° | 126.2° |
| C03 | N07 | C06 | C05 | 3.8° | 6.0° |
| N07 | C03 | S04 | C05 | 16.0° | 31.8° |
| C03 | N07 | C08 | H08 | 4.0° | 36.0° |
| N07 | C03 | C02 | H021 | 173.4° | 180.0° |
| N07 | C03 | C02 | H022 | 55.3° | 59.9° |
| C03 | N07 | C06 | H06 | 124.4° | 115.9° |
| C06 | N07 | C03 | C02 | 101.6° | 138.2° |
| C06 | N07 | C03 | S04 | 13.7° | 19.6° |
| N07 | C06 | S13 | C05 | 113.8° | 122.6° |
| N07 | C06 | S13 | H06 | 119.3° | 118.0° |
| N07 | C06 | C05 | H06 | 128.9° | 122.3° |
| N07 | C06 | C05 | S04 | 8.4° | 28.1° |
| C06 | N07 | C08 | H08 | 172.3° | 92.8° |
| C06 | N07 | C03 | H03 | 129.8° | 98.9° |
| N07 | C06 | C05 | H052 | 111.0° | 146.0° |
| N07 | C06 | C05 | H051 | 127.8° | 89.8° |
| C02 | C03 | S04 | H03 | 120.9° | 122.9° |
| C02 | C03 | S04 | C05 | 104.1° | 150.4° |
| C03 | C02 | H021 | H022 | 117.0° | 120.0° |
| C03 | C02 | S01 | HS01 | 180.0° | 180.0° |
| C03 | S04 | C05 | C06 | 14.9° | 33.9° |
| S04 | C03 | C02 | H021 | 61.5° | 65.9° |
| S04 | C03 | C02 | H022 | 56.6° | 174.1° |
| C03 | S04 | C05 | H052 | 104.5° | 151.8° |
| C03 | S04 | C05 | H051 | 134.3° | 83.9° |
| S13 | C06 | C05 | H06 | 125.1° | 119.8° |
| S13 | C06 | C05 | S04 | 97.6° | 145.9° |
| C06 | S13 | C12 | H122 | 127.4° | 84.2° |
| C06 | S13 | C12 | H121 | 111.1° | 151.3° |
| S13 | C06 | C05 | H052 | 143.0° | 96.2° |
| S13 | C06 | C05 | H051 | 21.8° | 28.1° |
| C06 | C05 | S04 | H052 | 119.4° | 117.9° |
| C06 | C05 | S04 | H051 | 119.4° | 117.9° |
| C06 | C05 | H052 | H051 | 121.7° | 124.3° |
| C05 | S04 | C03 | H03 | 135.0° | 86.7° |
| S04 | C05 | C06 | H06 | 137.3° | 94.2° |
| S04 | C05 | H052 | H051 | 121.7° | 124.3° |
| H122 | C12 | C08 | H08 | 91.1° | 161.2° |
| H121 | C12 | C08 | H08 | 30.4° | 36.6° |
| H03 | C03 | C02 | H021 | 57.6° | 57.1° |
| H03 | C03 | C02 | H022 | 175.7° | 62.9° |
| H021 | C02 | S01 | HS01 | 59.0° | 60.0° |
| H022 | C02 | S01 | HS01 | 59.0° | 60.0° |
| H06 | C06 | C05 | H052 | 17.9° | 23.7° |
| H06 | C06 | C05 | H051 | 103.3° | 147.9° |
