6BX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | S02 | doub | 1.42Å | 1.50Å | |
| O01 | S02 | doub | 1.42Å | 1.53Å | |
| S02 | O13 | sing | 1.52Å | 1.48Å | |
| S02 | C03 | sing | 1.81Å | 1.76Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| O05 | C04 | sing | 1.43Å | 1.39Å | |
| C04 | C06 | sing | 1.53Å | 1.56Å | |
| C06 | N07 | sing | 1.47Å | 1.45Å | |
| C08 | N07 | sing | 1.47Å | 1.43Å | |
| C08 | C09 | sing | 1.53Å | 1.51Å | |
| N07 | C12 | sing | 1.47Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C09 | O10 | sing | 1.43Å | 1.44Å | |
| O10 | C11 | sing | 1.43Å | 1.41Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| O05 | H4 | sing | 0.97Å | 0.95Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | S02 | O01 | 111.4° | 121.0° |
| O14 | S02 | O13 | 101.5° | 104.3° |
| O14 | S02 | C03 | 111.8° | 110.5° |
| O01 | S02 | O13 | 111.2° | 104.3° |
| O01 | S02 | C03 | 109.5° | 110.5° |
| O13 | S02 | C03 | 111.3° | 104.5° |
| S02 | O13 | H7 | 109.5° | 114.0° |
| S02 | C03 | C04 | 112.3° | 109.5° |
| S02 | C03 | H1 | 108.7° | 109.5° |
| S02 | C03 | H2 | 108.8° | 109.5° |
| C03 | C04 | O05 | 105.7° | 109.5° |
| C03 | C04 | C06 | 110.0° | 109.5° |
| C04 | C03 | H1 | 108.8° | 109.5° |
| C04 | C03 | H2 | 108.7° | 109.5° |
| C03 | C04 | H3 | 109.8° | 109.4° |
| O05 | C04 | C06 | 109.4° | 109.5° |
| O05 | C04 | H3 | 112.2° | 109.5° |
| C04 | O05 | H4 | 109.5° | 114.0° |
| C04 | C06 | N07 | 118.8° | 109.5° |
| C06 | C04 | H3 | 109.6° | 109.4° |
| C04 | C06 | H5 | 107.1° | 109.5° |
| C04 | C06 | H6 | 107.1° | 109.5° |
| C06 | N07 | C08 | 114.0° | 111.0° |
| C06 | N07 | C12 | 105.7° | 111.0° |
| N07 | C06 | H5 | 107.1° | 109.5° |
| N07 | C06 | H6 | 107.1° | 109.5° |
| N07 | C08 | C09 | 114.1° | 109.2° |
| C08 | N07 | C12 | 115.3° | 110.8° |
| N07 | C08 | H8 | 108.3° | 109.5° |
| N07 | C08 | H9 | 108.3° | 109.5° |
| C08 | C09 | O10 | 112.1° | 109.3° |
| C09 | C08 | H8 | 108.3° | 109.6° |
| C09 | C08 | H9 | 108.3° | 109.5° |
| C08 | C09 | H10 | 108.8° | 109.5° |
| C08 | C09 | H11 | 108.8° | 109.5° |
| N07 | C12 | C11 | 115.3° | 109.3° |
| N07 | C12 | H14 | 108.0° | 109.5° |
| N07 | C12 | H15 | 108.0° | 109.5° |
| C12 | C11 | O10 | 111.4° | 109.2° |
| C12 | C11 | H12 | 109.0° | 109.5° |
| C12 | C11 | H13 | 109.0° | 109.6° |
| C11 | C12 | H14 | 108.0° | 109.5° |
| C11 | C12 | H15 | 108.0° | 109.5° |
| C09 | O10 | C11 | 110.5° | 113.7° |
| O10 | C09 | H10 | 108.8° | 109.5° |
| O10 | C09 | H11 | 108.8° | 109.5° |
| O10 | C11 | H12 | 109.0° | 109.5° |
| O10 | C11 | H13 | 109.0° | 109.5° |
| H1 | C03 | H2 | 109.5° | 109.4° |
| H5 | C06 | H6 | 109.5° | 109.4° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | S02 | O01 | O13 | 112.4° | 116.8° |
| O14 | S02 | O01 | C03 | 124.2° | 131.4° |
| O14 | S02 | O13 | C03 | 119.0° | 116.1° |
| O14 | S02 | C03 | C04 | 68.7° | 68.4° |
| O14 | S02 | C03 | H1 | 51.8° | 171.6° |
| O14 | S02 | C03 | H2 | 170.9° | 51.7° |
| O14 | S02 | O13 | H7 | 0.0° | 63.9° |
| O01 | S02 | O13 | C03 | 122.4° | 116.1° |
| O01 | S02 | C03 | C04 | 167.3° | 68.3° |
| O01 | S02 | C03 | H1 | 72.2° | 51.7° |
| O01 | S02 | C03 | H2 | 46.9° | 171.6° |
| O01 | S02 | O13 | H7 | 118.6° | 63.9° |
| O13 | S02 | C03 | C04 | 44.0° | 180.0° |
| O13 | S02 | C03 | H1 | 164.4° | 60.0° |
| O13 | S02 | C03 | H2 | 76.4° | 60.0° |
| S02 | C03 | C04 | H1 | 120.4° | 120.0° |
| S02 | C03 | C04 | H2 | 120.4° | 120.0° |
| S02 | C03 | C04 | O05 | 106.1° | 65.0° |
| S02 | C03 | C04 | C06 | 135.8° | 175.0° |
| S02 | C03 | H1 | H2 | 118.7° | 120.0° |
| S02 | C03 | C04 | H3 | 15.2° | 55.0° |
| C03 | S02 | O13 | H7 | 119.0° | 180.0° |
| C03 | C04 | O05 | C06 | 118.4° | 120.0° |
| C03 | C04 | O05 | H3 | 119.7° | 120.0° |
| C03 | C04 | C06 | H3 | 120.8° | 119.9° |
| C03 | C04 | C06 | N07 | 172.9° | 177.2° |
| C04 | C03 | H1 | H2 | 118.7° | 120.0° |
| C03 | C04 | O05 | H4 | 180.0° | 60.0° |
| C03 | C04 | C06 | H5 | 65.8° | 62.8° |
| C03 | C04 | C06 | H6 | 51.5° | 57.1° |
| O05 | C04 | C06 | H3 | 123.5° | 120.0° |
| O05 | C04 | C06 | N07 | 71.4° | 62.8° |
| O05 | C04 | C03 | H1 | 14.3° | 55.0° |
| O05 | C04 | C03 | H2 | 133.5° | 175.0° |
| O05 | C04 | C06 | H5 | 49.9° | 57.2° |
| O05 | C04 | C06 | H6 | 167.2° | 177.2° |
| C04 | C06 | N07 | H5 | 121.3° | 120.0° |
| C04 | C06 | N07 | H6 | 121.3° | 120.1° |
| C04 | C06 | N07 | C08 | 3.1° | 160.6° |
| C04 | C06 | N07 | C12 | 130.8° | 75.8° |
| C06 | C04 | C03 | H1 | 103.8° | 65.0° |
| C06 | C04 | C03 | H2 | 15.4° | 55.0° |
| C06 | C04 | O05 | H4 | 61.6° | 60.0° |
| C04 | C06 | H5 | H6 | 115.7° | 120.0° |
| C06 | N07 | C08 | C12 | 122.6° | 123.8° |
| C06 | N07 | C08 | C09 | 161.0° | 177.6° |
| C06 | N07 | C12 | C11 | 165.5° | 177.6° |
| N07 | C06 | C04 | H3 | 52.1° | 57.3° |
| N07 | C06 | H5 | H6 | 115.8° | 120.0° |
| C06 | N07 | C08 | H8 | 78.3° | 57.6° |
| C06 | N07 | C08 | H9 | 40.4° | 62.4° |
| C06 | N07 | C12 | H14 | 44.6° | 62.5° |
| C06 | N07 | C12 | H15 | 73.7° | 57.7° |
| N07 | C08 | C09 | H8 | 120.7° | 119.9° |
| N07 | C08 | C09 | H9 | 120.7° | 120.0° |
| C08 | N07 | C12 | C11 | 38.5° | 58.6° |
| N07 | C08 | C09 | O10 | 48.7° | 56.9° |
| C08 | N07 | C06 | H5 | 118.2° | 40.6° |
| C08 | N07 | C06 | H6 | 124.5° | 79.4° |
| N07 | C08 | H8 | H9 | 117.9° | 120.1° |
| N07 | C08 | C09 | H10 | 71.7° | 63.1° |
| N07 | C08 | C09 | H11 | 169.1° | 176.7° |
| C08 | N07 | C12 | H14 | 82.3° | 61.3° |
| C08 | N07 | C12 | H15 | 159.4° | 178.6° |
| C09 | C08 | N07 | C12 | 38.4° | 58.6° |
| C08 | C09 | O10 | H10 | 120.4° | 120.0° |
| C08 | C09 | O10 | H11 | 120.4° | 119.9° |
| C08 | C09 | O10 | C11 | 59.0° | 58.7° |
| C09 | C08 | H8 | H9 | 117.9° | 120.1° |
| C08 | C09 | H10 | H11 | 118.8° | 120.1° |
| N07 | C12 | C11 | H14 | 120.8° | 120.0° |
| N07 | C12 | C11 | H15 | 120.8° | 119.9° |
| N07 | C12 | C11 | O10 | 48.5° | 56.8° |
| C12 | N07 | C06 | H5 | 9.5° | 164.2° |
| C12 | N07 | C06 | H6 | 107.8° | 44.3° |
| C12 | N07 | C08 | H8 | 159.1° | 178.6° |
| C12 | N07 | C08 | H9 | 82.2° | 61.3° |
| N07 | C12 | C11 | H12 | 168.7° | 63.0° |
| N07 | C12 | C11 | H13 | 71.8° | 176.8° |
| N07 | C12 | H14 | H15 | 117.3° | 120.1° |
| C12 | C11 | O10 | C09 | 58.1° | 58.6° |
| C12 | C11 | O10 | H12 | 120.3° | 119.9° |
| C12 | C11 | O10 | H13 | 120.3° | 120.0° |
| C12 | C11 | H12 | H13 | 119.2° | 120.2° |
| C11 | C12 | H14 | H15 | 117.4° | 120.1° |
| O10 | C09 | C08 | H8 | 169.4° | 176.8° |
| O10 | C09 | C08 | H9 | 72.0° | 63.1° |
| O10 | C09 | H10 | H11 | 118.8° | 120.1° |
| C09 | O10 | C11 | H12 | 178.4° | 61.3° |
| C09 | O10 | C11 | H13 | 62.2° | 178.7° |
| C11 | O10 | C09 | H10 | 61.5° | 61.3° |
| C11 | O10 | C09 | H11 | 179.3° | 178.6° |
| O10 | C11 | H12 | H13 | 119.1° | 120.0° |
| O10 | C11 | C12 | H14 | 72.4° | 63.1° |
| O10 | C11 | C12 | H15 | 169.3° | 176.8° |
| H1 | C03 | C04 | H3 | 135.6° | 175.0° |
| H2 | C03 | C04 | H3 | 105.3° | 65.0° |
| H3 | C04 | O05 | H4 | 60.3° | 180.0° |
| H3 | C04 | C06 | H5 | 173.4° | 177.3° |
| H3 | C04 | C06 | H6 | 69.3° | 62.8° |
| H8 | C08 | C09 | H10 | 49.0° | 56.8° |
| H8 | C08 | C09 | H11 | 70.2° | 63.3° |
| H9 | C08 | C09 | H10 | 167.6° | 176.9° |
| H9 | C08 | C09 | H11 | 48.4° | 56.8° |
| H12 | C11 | C12 | H14 | 47.9° | 177.0° |
| H12 | C11 | C12 | H15 | 70.4° | 56.9° |
| H13 | C11 | C12 | H14 | 167.3° | 56.8° |
| H13 | C11 | C12 | H15 | 49.0° | 63.3° |
