6BY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | S02 | doub | 1.42Å | 1.50Å | |
| O13 | S02 | doub | 1.42Å | 1.48Å | |
| S02 | O01 | sing | 1.52Å | 1.53Å | |
| S02 | C03 | sing | 1.81Å | 1.76Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | O05 | sing | 1.43Å | 1.38Å | |
| C04 | C06 | sing | 1.53Å | 1.55Å | |
| C06 | N07 | sing | 1.47Å | 1.44Å | |
| C12 | N07 | sing | 1.47Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| N07 | C08 | sing | 1.47Å | 1.42Å | |
| C11 | O10 | sing | 1.43Å | 1.41Å | |
| C08 | C09 | sing | 1.53Å | 1.51Å | |
| O10 | C09 | sing | 1.43Å | 1.44Å | |
| 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 | |
| O01 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | S02 | O13 | 101.3° | 121.0° |
| O14 | S02 | O01 | 111.6° | 104.3° |
| O14 | S02 | C03 | 111.4° | 110.6° |
| O13 | S02 | O01 | 111.2° | 104.3° |
| O13 | S02 | C03 | 110.9° | 110.6° |
| O01 | S02 | C03 | 110.2° | 104.5° |
| S02 | O01 | H16 | 109.5° | 114.0° |
| S02 | C03 | C04 | 109.8° | 109.4° |
| S02 | C03 | H1 | 109.4° | 109.5° |
| S02 | C03 | H2 | 109.4° | 109.4° |
| C03 | C04 | O05 | 108.8° | 109.5° |
| C03 | C04 | C06 | 110.5° | 109.4° |
| C04 | C03 | H1 | 109.4° | 109.5° |
| C04 | C03 | H2 | 109.4° | 109.5° |
| C03 | C04 | H3 | 109.0° | 109.5° |
| O05 | C04 | C06 | 108.3° | 109.5° |
| O05 | C04 | H3 | 111.3° | 109.5° |
| C04 | O05 | H4 | 109.5° | 114.0° |
| C04 | C06 | N07 | 111.4° | 109.4° |
| C06 | C04 | H3 | 108.9° | 109.5° |
| C04 | C06 | H5 | 109.0° | 109.5° |
| C04 | C06 | H6 | 109.0° | 109.5° |
| C06 | N07 | C12 | 105.7° | 111.0° |
| C06 | N07 | C08 | 106.5° | 111.0° |
| N07 | C06 | H5 | 109.0° | 109.5° |
| N07 | C06 | H6 | 109.0° | 109.4° |
| N07 | C12 | C11 | 115.2° | 109.3° |
| C12 | N07 | C08 | 117.7° | 110.8° |
| N07 | C12 | H14 | 108.0° | 109.5° |
| N07 | C12 | H15 | 108.0° | 109.5° |
| C12 | C11 | O10 | 115.4° | 109.3° |
| C12 | C11 | H12 | 108.0° | 109.5° |
| C12 | C11 | H13 | 108.0° | 109.6° |
| C11 | C12 | H14 | 108.0° | 109.5° |
| C11 | C12 | H15 | 108.0° | 109.5° |
| N07 | C08 | C09 | 118.1° | 109.3° |
| N07 | C08 | H8 | 107.2° | 109.5° |
| N07 | C08 | H9 | 107.2° | 109.5° |
| C11 | O10 | C09 | 117.4° | 113.7° |
| O10 | C11 | H12 | 108.0° | 109.5° |
| O10 | C11 | H13 | 108.0° | 109.5° |
| C08 | C09 | O10 | 117.1° | 109.3° |
| C09 | C08 | H8 | 107.3° | 109.5° |
| C09 | C08 | H9 | 107.3° | 109.5° |
| C08 | C09 | H10 | 107.5° | 109.5° |
| C08 | C09 | H11 | 107.5° | 109.5° |
| O10 | C09 | H10 | 107.5° | 109.5° |
| O10 | C09 | H11 | 107.5° | 109.6° |
| H1 | C03 | H2 | 109.5° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.6° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | S02 | O13 | O01 | 118.7° | 116.7° |
| O14 | S02 | O13 | C03 | 118.4° | 131.5° |
| O14 | S02 | O01 | C03 | 124.3° | 116.1° |
| O14 | S02 | C03 | C04 | 168.3° | 68.4° |
| O14 | S02 | C03 | H1 | 48.2° | 51.6° |
| O14 | S02 | C03 | H2 | 71.7° | 171.6° |
| O14 | S02 | O01 | H16 | 112.4° | 63.9° |
| O13 | S02 | O01 | C03 | 123.4° | 116.1° |
| O13 | S02 | C03 | C04 | 79.7° | 68.4° |
| O13 | S02 | C03 | H1 | 160.3° | 171.6° |
| O13 | S02 | C03 | H2 | 40.4° | 51.6° |
| O13 | S02 | O01 | H16 | 0.0° | 63.9° |
| O01 | S02 | C03 | C04 | 43.9° | 180.0° |
| O01 | S02 | C03 | H1 | 76.2° | 60.0° |
| O01 | S02 | C03 | H2 | 163.9° | 60.0° |
| S02 | C03 | C04 | H1 | 120.1° | 120.0° |
| S02 | C03 | C04 | H2 | 120.0° | 119.9° |
| S02 | C03 | C04 | O05 | 98.3° | 60.0° |
| S02 | C03 | C04 | C06 | 142.9° | 180.0° |
| S02 | C03 | H1 | H2 | 119.8° | 120.0° |
| S02 | C03 | C04 | H3 | 23.2° | 60.0° |
| C03 | S02 | O01 | H16 | 123.3° | 180.0° |
| C03 | C04 | O05 | C06 | 120.2° | 119.9° |
| C03 | C04 | O05 | H3 | 120.1° | 120.0° |
| C03 | C04 | C06 | H3 | 119.7° | 120.0° |
| C03 | C04 | C06 | N07 | 103.2° | 179.5° |
| C04 | C03 | H1 | H2 | 119.9° | 120.1° |
| C03 | C04 | O05 | H4 | 180.0° | 59.9° |
| C03 | C04 | C06 | H5 | 136.5° | 59.5° |
| C03 | C04 | C06 | H6 | 17.1° | 60.6° |
| O05 | C04 | C06 | H3 | 121.2° | 120.0° |
| O05 | C04 | C06 | N07 | 15.9° | 60.5° |
| O05 | C04 | C03 | H1 | 141.6° | 180.0° |
| O05 | C04 | C03 | H2 | 21.7° | 59.9° |
| O05 | C04 | C06 | H5 | 104.4° | 179.5° |
| O05 | C04 | C06 | H6 | 136.2° | 59.4° |
| C04 | C06 | N07 | H5 | 120.3° | 120.0° |
| C04 | C06 | N07 | H6 | 120.3° | 120.0° |
| C04 | C06 | N07 | C12 | 116.0° | 160.5° |
| C04 | C06 | N07 | C08 | 118.1° | 75.8° |
| C06 | C04 | C03 | H1 | 22.8° | 60.0° |
| C06 | C04 | C03 | H2 | 97.1° | 60.1° |
| C06 | C04 | O05 | H4 | 59.8° | 60.0° |
| C04 | C06 | H5 | H6 | 119.1° | 120.0° |
| C06 | N07 | C12 | C08 | 118.7° | 123.8° |
| C06 | N07 | C12 | C11 | 96.2° | 177.6° |
| C06 | N07 | C08 | C09 | 132.7° | 177.6° |
| N07 | C06 | C04 | H3 | 137.1° | 59.5° |
| N07 | C06 | H5 | H6 | 119.1° | 120.0° |
| C06 | N07 | C08 | H8 | 106.0° | 57.7° |
| C06 | N07 | C08 | H9 | 11.5° | 62.5° |
| C06 | N07 | C12 | H14 | 24.6° | 62.4° |
| C06 | N07 | C12 | H15 | 142.9° | 57.7° |
| N07 | C12 | C11 | H14 | 120.8° | 119.9° |
| N07 | C12 | C11 | H15 | 120.8° | 119.9° |
| N07 | C12 | C11 | O10 | 47.5° | 56.8° |
| C12 | N07 | C08 | C09 | 14.5° | 58.6° |
| C12 | N07 | C06 | H5 | 123.7° | 79.5° |
| C12 | N07 | C06 | H6 | 4.3° | 40.5° |
| C12 | N07 | C08 | H8 | 135.7° | 178.5° |
| C12 | N07 | C08 | H9 | 106.8° | 61.3° |
| N07 | C12 | C11 | H12 | 73.4° | 63.1° |
| N07 | C12 | C11 | H13 | 168.4° | 176.7° |
| N07 | C12 | H14 | H15 | 117.4° | 120.1° |
| C11 | C12 | N07 | C08 | 22.5° | 58.6° |
| C12 | C11 | O10 | H12 | 120.9° | 119.9° |
| C12 | C11 | O10 | H13 | 120.9° | 120.0° |
| C12 | C11 | O10 | C09 | 32.5° | 58.7° |
| C12 | C11 | H12 | H13 | 117.3° | 120.2° |
| C11 | C12 | H14 | H15 | 117.4° | 120.2° |
| N07 | C08 | C09 | H8 | 121.2° | 120.0° |
| N07 | C08 | C09 | H9 | 121.2° | 119.9° |
| N07 | C08 | C09 | O10 | 29.4° | 56.8° |
| C08 | N07 | C06 | H5 | 2.2° | 44.2° |
| C08 | N07 | C06 | H6 | 121.6° | 164.2° |
| N07 | C08 | H8 | H9 | 116.0° | 120.1° |
| N07 | C08 | C09 | H10 | 91.7° | 63.1° |
| N07 | C08 | C09 | H11 | 150.5° | 176.8° |
| C08 | N07 | C12 | H14 | 143.3° | 61.3° |
| C08 | N07 | C12 | H15 | 98.4° | 178.6° |
| C11 | O10 | C09 | C08 | 4.5° | 58.7° |
| C11 | O10 | C09 | H10 | 116.6° | 61.2° |
| C11 | O10 | C09 | H11 | 125.6° | 178.6° |
| O10 | C11 | H12 | H13 | 117.3° | 120.0° |
| O10 | C11 | C12 | H14 | 168.3° | 63.0° |
| O10 | C11 | C12 | H15 | 73.3° | 176.8° |
| C08 | C09 | O10 | H10 | 121.1° | 119.9° |
| C08 | C09 | O10 | H11 | 121.1° | 119.9° |
| C09 | C08 | H8 | H9 | 116.1° | 120.1° |
| C08 | C09 | H10 | H11 | 116.5° | 120.0° |
| O10 | C09 | C08 | H8 | 150.6° | 176.8° |
| O10 | C09 | C08 | H9 | 91.8° | 63.1° |
| O10 | C09 | H10 | H11 | 116.5° | 120.2° |
| C09 | O10 | C11 | H12 | 88.4° | 61.2° |
| C09 | O10 | C11 | H13 | 153.4° | 178.7° |
| H1 | C03 | C04 | H3 | 96.8° | 59.9° |
| H2 | C03 | C04 | H3 | 143.3° | 180.0° |
| H3 | C04 | O05 | H4 | 59.9° | 179.9° |
| H3 | C04 | C06 | H5 | 16.9° | 60.5° |
| H3 | C04 | C06 | H6 | 102.6° | 179.5° |
| H8 | C08 | C09 | H10 | 29.5° | 56.9° |
| H8 | C08 | C09 | H11 | 88.3° | 63.2° |
| H9 | C08 | C09 | H10 | 147.1° | 177.0° |
| H9 | C08 | C09 | H11 | 29.3° | 56.9° |
| H12 | C11 | C12 | H14 | 47.4° | 177.0° |
| H12 | C11 | C12 | H15 | 165.8° | 56.9° |
| H13 | C11 | C12 | H14 | 70.8° | 56.9° |
| H13 | C11 | C12 | H15 | 47.6° | 63.3° |
