JO7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | S13 | doub | 1.42Å | 1.34Å | |
| C01 | O02 | sing | 1.43Å | 1.39Å | |
| C12 | C06 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C04 | N05 | sing | 1.46Å | 1.39Å | |
| C04 | C03 | sing | 1.52Å | 1.54Å | |
| S13 | O14 | doub | 1.42Å | 1.33Å | |
| S13 | N05 | sing | 1.67Å | 1.54Å | |
| S13 | C16 | sing | 1.81Å | 1.63Å | |
| N05 | C06 | sing | 1.47Å | 1.42Å | |
| C06 | C07 | sing | 1.53Å | 1.50Å | |
| C11 | C03 | sing | 1.52Å | 1.51Å | |
| C11 | C09 | sing | 1.52Å | 1.46Å | |
| O02 | C03 | sing | 1.43Å | 1.40Å | |
| O10 | C09 | sing | 1.43Å | 1.36Å | |
| C09 | C08 | sing | 1.52Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.49Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.10Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.11Å | 1.10Å | |
| C06 | H061 | sing | 1.10Å | 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 | 1.10Å | 1.10Å | |
| C09 | H091 | sing | 1.10Å | 1.10Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | S13 | O14 | 114.5° | 121.0° |
| O15 | S13 | N05 | 107.1° | 104.2° |
| O15 | S13 | C16 | 108.9° | 110.5° |
| C01 | O02 | C03 | 118.2° | 114.0° |
| O02 | C01 | H012 | 109.5° | 109.4° |
| O02 | C01 | H013 | 109.4° | 109.4° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| C06 | C12 | C11 | 106.6° | 108.1° |
| C12 | C06 | N05 | 110.4° | 109.2° |
| C12 | C06 | C07 | 109.5° | 109.1° |
| C12 | C06 | H061 | 108.1° | 109.3° |
| C06 | C12 | H121 | 110.2° | 109.8° |
| C06 | C12 | H122 | 110.2° | 109.8° |
| C12 | C11 | C03 | 109.5° | 110.2° |
| C12 | C11 | C09 | 105.0° | 110.6° |
| C12 | C11 | H111 | 110.5° | 107.8° |
| C11 | C12 | H121 | 110.2° | 109.7° |
| C11 | C12 | H122 | 110.2° | 109.8° |
| N05 | C04 | C03 | 112.7° | 112.7° |
| C04 | N05 | S13 | 121.4° | 119.5° |
| C04 | N05 | C06 | 113.0° | 121.1° |
| N05 | C04 | H041 | 108.7° | 110.9° |
| N05 | C04 | H042 | 108.7° | 107.8° |
| C04 | C03 | C11 | 112.2° | 112.7° |
| C04 | C03 | O02 | 111.8° | 109.4° |
| C04 | C03 | H031 | 109.4° | 108.9° |
| C03 | C04 | H041 | 108.7° | 110.8° |
| C03 | C04 | H042 | 108.7° | 108.1° |
| O14 | S13 | N05 | 111.6° | 104.3° |
| O14 | S13 | C16 | 107.5° | 110.6° |
| N05 | S13 | C16 | 107.0° | 104.5° |
| S13 | N05 | C06 | 125.6° | 119.4° |
| S13 | C16 | H163 | 109.5° | 109.5° |
| S13 | C16 | H161 | 109.5° | 109.4° |
| S13 | C16 | H162 | 109.5° | 109.4° |
| N05 | C06 | C07 | 110.3° | 110.5° |
| N05 | C06 | H061 | 109.8° | 109.3° |
| C06 | C07 | C08 | 113.2° | 111.0° |
| C07 | C06 | H061 | 108.6° | 109.4° |
| C06 | C07 | H072 | 108.5° | 109.4° |
| C06 | C07 | H071 | 108.5° | 109.4° |
| C03 | C11 | C09 | 111.2° | 111.9° |
| C11 | C03 | O02 | 102.1° | 109.2° |
| C11 | C03 | H031 | 109.8° | 108.7° |
| C03 | C11 | H111 | 109.9° | 108.2° |
| C11 | C09 | O10 | 100.8° | 109.4° |
| C11 | C09 | C08 | 114.2° | 112.5° |
| C11 | C09 | H091 | 111.3° | 108.7° |
| C09 | C11 | H111 | 110.7° | 108.1° |
| O02 | C03 | H031 | 111.5° | 107.8° |
| O10 | C09 | C08 | 106.9° | 109.4° |
| O10 | C09 | H091 | 113.0° | 108.1° |
| C09 | O10 | H101 | 109.5° | 114.0° |
| C09 | C08 | C07 | 111.1° | 111.8° |
| C09 | C08 | H082 | 109.1° | 111.0° |
| C09 | C08 | H081 | 109.1° | 108.1° |
| C08 | C09 | H091 | 110.3° | 108.8° |
| C08 | C07 | H072 | 108.5° | 109.3° |
| C08 | C07 | H071 | 108.5° | 109.4° |
| C07 | C08 | H082 | 109.1° | 110.8° |
| C07 | C08 | H081 | 109.1° | 108.0° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 106.3° |
| H072 | C07 | H071 | 109.5° | 108.4° |
| H082 | C08 | H081 | 109.4° | 106.9° |
| H121 | C12 | H122 | 109.5° | 109.6° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | S13 | N05 | C04 | 49.2° | 26.1° |
| O15 | S13 | O14 | N05 | 121.8° | 116.7° |
| O15 | S13 | O14 | C16 | 121.1° | 131.5° |
| O15 | S13 | N05 | C16 | 116.6° | 116.1° |
| O15 | S13 | N05 | C06 | 133.9° | 154.0° |
| O15 | S13 | C16 | H163 | 180.0° | 68.4° |
| O15 | S13 | C16 | H161 | 60.0° | 51.6° |
| O15 | S13 | C16 | H162 | 60.0° | 171.6° |
| C01 | O02 | C03 | C04 | 0.1° | 88.3° |
| C01 | O02 | C03 | C11 | 120.2° | 147.9° |
| O02 | C01 | H012 | H013 | 120.0° | 119.9° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | O02 | C03 | H031 | 122.7° | 30.0° |
| C06 | C12 | C11 | H121 | 119.6° | 119.7° |
| C06 | C12 | C11 | H122 | 119.6° | 119.8° |
| C12 | C06 | N05 | C04 | 33.5° | 48.1° |
| C12 | C06 | N05 | S13 | 149.4° | 131.8° |
| C12 | C06 | N05 | C07 | 121.1° | 120.0° |
| C12 | C06 | N05 | H061 | 119.2° | 119.5° |
| C12 | C06 | C07 | H061 | 117.9° | 119.6° |
| C06 | C12 | C11 | C03 | 41.6° | 63.4° |
| C06 | C12 | C11 | C09 | 77.8° | 60.7° |
| C12 | C06 | C07 | C08 | 17.4° | 59.8° |
| C12 | C06 | C07 | H072 | 103.2° | 179.5° |
| C12 | C06 | C07 | H071 | 137.9° | 61.0° |
| C06 | C12 | C11 | H111 | 162.8° | 178.7° |
| C06 | C12 | H121 | H122 | 121.3° | 120.7° |
| C12 | C11 | C03 | C04 | 17.0° | 55.0° |
| C11 | C12 | C06 | N05 | 74.0° | 57.6° |
| C11 | C12 | C06 | C07 | 47.6° | 63.2° |
| C12 | C11 | C03 | C09 | 115.5° | 123.4° |
| C12 | C11 | C03 | H111 | 121.5° | 117.6° |
| C12 | C11 | C09 | H111 | 119.3° | 117.8° |
| C12 | C11 | C03 | O02 | 136.8° | 66.8° |
| C12 | C11 | C09 | O10 | 75.1° | 66.9° |
| C12 | C11 | C09 | C08 | 39.1° | 54.8° |
| C12 | C11 | C03 | H031 | 104.8° | 175.8° |
| C11 | C12 | C06 | H061 | 165.8° | 177.2° |
| C12 | C11 | C09 | H091 | 164.9° | 175.3° |
| C11 | C12 | H121 | H122 | 121.3° | 120.7° |
| N05 | C04 | C03 | H041 | 120.5° | 124.8° |
| N05 | C04 | C03 | H042 | 120.5° | 119.0° |
| C04 | N05 | S13 | O14 | 175.2° | 153.9° |
| C04 | N05 | S13 | C06 | 176.9° | 179.9° |
| C04 | N05 | S13 | C16 | 67.4° | 90.0° |
| C04 | N05 | C06 | C07 | 87.6° | 71.9° |
| N05 | C04 | C03 | C11 | 58.5° | 40.7° |
| N05 | C04 | C03 | O02 | 172.5° | 81.0° |
| N05 | C04 | C03 | H031 | 63.5° | 161.3° |
| N05 | C04 | H041 | H042 | 118.6° | 116.9° |
| C04 | N05 | C06 | H061 | 152.7° | 167.6° |
| C03 | C04 | N05 | S13 | 148.1° | 140.7° |
| C03 | C04 | N05 | C06 | 29.1° | 39.2° |
| C04 | C03 | C11 | O02 | 119.8° | 121.8° |
| C04 | C03 | C11 | H031 | 121.8° | 120.8° |
| C04 | C03 | C11 | C09 | 132.5° | 68.4° |
| C04 | C03 | O02 | H031 | 122.8° | 118.3° |
| C03 | C04 | H041 | H042 | 118.5° | 117.2° |
| C04 | C03 | C11 | H111 | 104.5° | 172.6° |
| O14 | S13 | N05 | C16 | 117.4° | 116.1° |
| O14 | S13 | N05 | C06 | 7.9° | 26.2° |
| O14 | S13 | C16 | H163 | 55.4° | 68.3° |
| O14 | S13 | C16 | H161 | 175.4° | 171.6° |
| O14 | S13 | C16 | H162 | 64.6° | 51.6° |
| S13 | N05 | C06 | C07 | 89.5° | 108.2° |
| S13 | N05 | C04 | H041 | 91.4° | 94.5° |
| S13 | N05 | C04 | H042 | 27.6° | 21.5° |
| S13 | N05 | C06 | H061 | 30.2° | 12.3° |
| N05 | S13 | C16 | H163 | 64.6° | 180.0° |
| N05 | S13 | C16 | H161 | 55.4° | 60.0° |
| N05 | S13 | C16 | H162 | 175.4° | 60.0° |
| C16 | S13 | N05 | C06 | 109.5° | 90.0° |
| S13 | C16 | H163 | H161 | 120.0° | 120.0° |
| S13 | C16 | H163 | H162 | 120.0° | 120.0° |
| S13 | C16 | H161 | H162 | 120.0° | 119.9° |
| N05 | C06 | C07 | H061 | 120.4° | 120.4° |
| N05 | C06 | C07 | C08 | 139.1° | 60.2° |
| C06 | N05 | C04 | H041 | 91.4° | 85.6° |
| C06 | N05 | C04 | H042 | 149.6° | 158.4° |
| N05 | C06 | C07 | H072 | 18.5° | 60.5° |
| N05 | C06 | C07 | H071 | 100.4° | 179.0° |
| N05 | C06 | C12 | H121 | 166.5° | 177.3° |
| N05 | C06 | C12 | H122 | 45.5° | 62.2° |
| C06 | C07 | C08 | C09 | 54.5° | 53.0° |
| C06 | C07 | C08 | H072 | 120.6° | 120.7° |
| C06 | C07 | C08 | H071 | 120.6° | 120.8° |
| C06 | C07 | H072 | H071 | 118.2° | 119.1° |
| C06 | C07 | C08 | H082 | 65.7° | 71.4° |
| C06 | C07 | C08 | H081 | 174.7° | 171.8° |
| C07 | C06 | C12 | H121 | 71.9° | 56.5° |
| C07 | C06 | C12 | H122 | 167.2° | 177.0° |
| C03 | C11 | C09 | H111 | 122.5° | 119.0° |
| C11 | C03 | O02 | H031 | 117.1° | 117.9° |
| C03 | C11 | C09 | O10 | 166.7° | 169.9° |
| C03 | C11 | C09 | C08 | 79.1° | 68.4° |
| C11 | C03 | C04 | H041 | 62.0° | 84.2° |
| C11 | C03 | C04 | H042 | 179.0° | 159.7° |
| C03 | C11 | C09 | H091 | 46.6° | 52.1° |
| C03 | C11 | C12 | H121 | 161.2° | 176.9° |
| C03 | C11 | C12 | H122 | 77.9° | 56.4° |
| C09 | C11 | C03 | O02 | 107.7° | 169.8° |
| C11 | C09 | O10 | C08 | 119.6° | 123.6° |
| C11 | C09 | O10 | H091 | 118.8° | 118.2° |
| C11 | C09 | C08 | H091 | 126.2° | 120.5° |
| C11 | C09 | C08 | C07 | 24.4° | 50.5° |
| C09 | C11 | C03 | H031 | 10.7° | 52.4° |
| C11 | C09 | C08 | H082 | 95.9° | 73.7° |
| C11 | C09 | C08 | H081 | 144.7° | 169.3° |
| C11 | C09 | O10 | H101 | 180.0° | 176.5° |
| C09 | C11 | C12 | H121 | 41.8° | 59.0° |
| C09 | C11 | C12 | H122 | 162.7° | 179.5° |
| C03 | O02 | C01 | H012 | 180.0° | 180.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| O02 | C03 | C04 | H041 | 52.0° | 154.1° |
| O02 | C03 | C04 | H042 | 67.0° | 38.0° |
| O02 | C03 | C11 | H111 | 15.3° | 50.8° |
| O10 | C09 | C08 | H091 | 123.2° | 117.8° |
| O10 | C09 | C08 | C07 | 135.0° | 71.2° |
| O10 | C09 | C08 | H082 | 14.7° | 164.6° |
| O10 | C09 | C08 | H081 | 104.7° | 47.6° |
| O10 | C09 | C11 | H111 | 44.2° | 50.9° |
| C09 | C08 | C07 | H082 | 120.2° | 124.4° |
| C09 | C08 | C07 | H081 | 120.2° | 118.8° |
| C09 | C08 | C07 | H072 | 66.1° | 173.7° |
| C09 | C08 | C07 | H071 | 175.1° | 67.8° |
| C09 | C08 | H082 | H081 | 119.2° | 117.7° |
| C08 | C09 | O10 | H101 | 60.4° | 60.0° |
| C08 | C09 | C11 | H111 | 158.4° | 172.6° |
| C08 | C07 | C06 | H061 | 100.5° | 179.3° |
| C08 | C07 | H072 | H071 | 118.3° | 119.2° |
| C07 | C08 | H082 | H081 | 119.3° | 117.5° |
| C07 | C08 | C09 | H091 | 101.8° | 171.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.1° |
| H031 | C03 | C04 | H041 | 176.0° | 36.5° |
| H031 | C03 | C04 | H042 | 57.0° | 79.6° |
| H031 | C03 | C11 | H111 | 133.6° | 66.6° |
| H061 | C06 | C07 | H072 | 138.9° | 60.0° |
| H061 | C06 | C07 | H071 | 20.1° | 58.5° |
| H061 | C06 | C12 | H121 | 46.3° | 63.2° |
| H061 | C06 | C12 | H122 | 74.6° | 57.3° |
| H072 | C07 | C08 | H082 | 173.7° | 49.3° |
| H072 | C07 | C08 | H081 | 54.2° | 67.5° |
| H071 | C07 | C08 | H082 | 54.8° | 167.8° |
| H071 | C07 | C08 | H081 | 64.7° | 51.0° |
| H082 | C08 | C09 | H091 | 137.9° | 46.7° |
| H081 | C08 | C09 | H091 | 18.5° | 70.3° |
| H091 | C09 | O10 | H101 | 61.1° | 58.3° |
| H091 | C09 | C11 | H111 | 75.9° | 66.9° |
| H111 | C11 | C12 | H121 | 77.6° | 59.0° |
| H111 | C11 | C12 | H122 | 43.2° | 61.5° |
| H163 | C16 | H161 | H162 | 120.0° | 120.0° |
