ZB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | doub | 1.21Å | 1.26Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C13 | O15 | sing | 1.34Å | 1.28Å | |
| C13 | C06 | sing | 1.51Å | 1.50Å | |
| C05 | C06 | sing | 1.53Å | 1.50Å | |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| C03 | C02 | sing | 1.53Å | 1.49Å | |
| C06 | N07 | sing | 1.47Å | 1.42Å | |
| C02 | N07 | sing | 1.47Å | 1.42Å | |
| N07 | C08 | sing | 1.35Å | 1.45Å | |
| C08 | O09 | doub | 1.21Å | 1.22Å | |
| C08 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C11 | S12 | sing | 1.81Å | 1.77Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| S12 | H16 | sing | 1.34Å | 1.30Å | |
| O15 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C13 | O15 | 120.5° | 120.0° |
| O14 | C13 | C06 | 118.7° | 120.0° |
| C05 | C04 | C03 | 111.5° | 109.6° |
| C04 | C05 | C06 | 113.4° | 109.3° |
| C05 | C04 | H7 | 109.0° | 109.5° |
| C05 | C04 | H8 | 109.0° | 109.5° |
| C04 | C05 | H9 | 108.5° | 109.4° |
| C04 | C05 | H10 | 108.5° | 109.5° |
| C04 | C03 | C02 | 111.8° | 109.3° |
| C04 | C03 | H5 | 108.9° | 109.5° |
| C04 | C03 | H6 | 108.9° | 109.5° |
| C03 | C04 | H7 | 109.0° | 109.5° |
| C03 | C04 | H8 | 109.0° | 109.4° |
| O15 | C13 | C06 | 120.8° | 120.0° |
| C13 | O15 | H17 | 109.5° | 117.0° |
| C13 | C06 | C05 | 110.5° | 109.6° |
| C13 | C06 | N07 | 115.9° | 109.6° |
| C13 | C06 | H11 | 105.8° | 109.7° |
| C05 | C06 | N07 | 111.3° | 108.8° |
| C06 | C05 | H9 | 108.5° | 109.6° |
| C06 | C05 | H10 | 108.5° | 109.5° |
| C05 | C06 | H11 | 105.9° | 109.6° |
| C01 | C02 | C03 | 109.3° | 109.6° |
| C01 | C02 | N07 | 112.4° | 109.6° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.0° | 109.6° |
| C03 | C02 | N07 | 112.9° | 108.8° |
| C03 | C02 | H4 | 107.1° | 109.7° |
| C02 | C03 | H5 | 108.9° | 109.5° |
| C02 | C03 | H6 | 108.9° | 109.5° |
| C06 | N07 | C02 | 119.7° | 118.8° |
| C06 | N07 | C08 | 125.0° | 120.6° |
| N07 | C06 | H11 | 106.7° | 109.6° |
| C02 | N07 | C08 | 115.3° | 120.6° |
| N07 | C02 | H4 | 107.9° | 109.6° |
| N07 | C08 | O09 | 116.8° | 120.0° |
| N07 | C08 | C10 | 126.2° | 120.0° |
| O09 | C08 | C10 | 116.9° | 120.0° |
| C08 | C10 | C11 | 116.8° | 109.5° |
| C08 | C10 | H12 | 107.6° | 109.4° |
| C08 | C10 | H13 | 107.6° | 109.5° |
| C10 | C11 | S12 | 116.1° | 109.5° |
| C11 | C10 | H12 | 107.6° | 109.5° |
| C11 | C10 | H13 | 107.6° | 109.5° |
| C10 | C11 | H14 | 107.8° | 109.5° |
| C10 | C11 | H15 | 107.8° | 109.5° |
| S12 | C11 | H14 | 107.8° | 109.4° |
| S12 | C11 | H15 | 107.8° | 109.5° |
| C11 | S12 | H16 | 102.0° | 103.0° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.4° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | O15 | C06 | 179.2° | 180.0° |
| O14 | C13 | C06 | C05 | 3.7° | 39.9° |
| O14 | C13 | C06 | N07 | 131.5° | 79.4° |
| O14 | C13 | C06 | H11 | 110.5° | 160.2° |
| O14 | C13 | O15 | H17 | 0.0° | 0.0° |
| C05 | C04 | C03 | H7 | 120.3° | 120.1° |
| C05 | C04 | C03 | H8 | 120.3° | 120.0° |
| C04 | C05 | C06 | C13 | 83.4° | 174.4° |
| C04 | C05 | C06 | H9 | 120.6° | 119.9° |
| C04 | C05 | C06 | H10 | 120.6° | 120.0° |
| C05 | C04 | C03 | C02 | 50.3° | 61.3° |
| C04 | C05 | C06 | N07 | 46.8° | 54.6° |
| C05 | C04 | C03 | H5 | 70.1° | 58.6° |
| C05 | C04 | C03 | H6 | 170.6° | 178.7° |
| C05 | C04 | H7 | H8 | 119.1° | 119.9° |
| C04 | C05 | H9 | H10 | 118.2° | 120.1° |
| C04 | C05 | C06 | H11 | 162.4° | 65.2° |
| C03 | C04 | C05 | C06 | 50.2° | 61.3° |
| C04 | C03 | C02 | C01 | 77.4° | 174.4° |
| C04 | C03 | C02 | H5 | 120.3° | 119.9° |
| C04 | C03 | C02 | H6 | 120.4° | 120.0° |
| C04 | C03 | C02 | N07 | 48.5° | 54.6° |
| C04 | C03 | C02 | H4 | 167.1° | 65.2° |
| C04 | C03 | H5 | H6 | 119.0° | 120.1° |
| C03 | C04 | H7 | H8 | 119.1° | 119.9° |
| C03 | C04 | C05 | H9 | 170.8° | 58.6° |
| C03 | C04 | C05 | H10 | 70.4° | 178.7° |
| O15 | C13 | C06 | C05 | 175.5° | 140.2° |
| O15 | C13 | C06 | N07 | 47.7° | 100.6° |
| O15 | C13 | C06 | H11 | 70.3° | 19.8° |
| C13 | C06 | C05 | N07 | 130.3° | 119.8° |
| C13 | C06 | C05 | H11 | 114.2° | 120.4° |
| C13 | C06 | N07 | H11 | 117.5° | 120.5° |
| C13 | C06 | N07 | C02 | 80.0° | 173.4° |
| C13 | C06 | N07 | C08 | 101.1° | 6.6° |
| C13 | C06 | C05 | H9 | 37.1° | 54.5° |
| C13 | C06 | C05 | H10 | 156.0° | 65.6° |
| C06 | C13 | O15 | H17 | 179.2° | 180.0° |
| C05 | C06 | N07 | H11 | 115.1° | 119.8° |
| C05 | C06 | N07 | C02 | 47.4° | 53.6° |
| C05 | C06 | N07 | C08 | 131.5° | 126.3° |
| C06 | C05 | C04 | H7 | 170.5° | 178.6° |
| C06 | C05 | C04 | H8 | 70.1° | 58.7° |
| C06 | C05 | H9 | H10 | 118.2° | 120.1° |
| C01 | C02 | C03 | N07 | 125.8° | 119.8° |
| C01 | C02 | C03 | H4 | 115.5° | 120.4° |
| C01 | C02 | N07 | C06 | 75.2° | 173.4° |
| C01 | C02 | N07 | H4 | 117.7° | 120.3° |
| C01 | C02 | N07 | C08 | 105.8° | 6.5° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | C03 | H5 | 162.3° | 54.5° |
| C01 | C02 | C03 | H6 | 43.0° | 65.6° |
| C03 | C02 | N07 | C06 | 49.0° | 53.6° |
| C03 | C02 | N07 | H4 | 118.1° | 119.9° |
| C03 | C02 | N07 | C08 | 130.0° | 126.3° |
| C03 | C02 | C01 | H1 | 180.0° | 178.3° |
| C03 | C02 | C01 | H2 | 60.0° | 58.4° |
| C03 | C02 | C01 | H3 | 60.0° | 61.6° |
| C02 | C03 | H5 | H6 | 118.9° | 120.1° |
| C02 | C03 | C04 | H7 | 170.6° | 178.6° |
| C02 | C03 | C04 | H8 | 70.0° | 58.7° |
| C06 | N07 | C02 | C08 | 179.0° | 179.9° |
| C06 | N07 | C08 | O09 | 179.5° | 171.1° |
| C06 | N07 | C08 | C10 | 0.2° | 9.0° |
| C06 | N07 | C02 | H4 | 167.1° | 66.3° |
| N07 | C06 | C05 | H9 | 167.4° | 65.3° |
| N07 | C06 | C05 | H10 | 73.8° | 174.6° |
| C02 | N07 | C08 | O09 | 0.6° | 8.8° |
| C02 | N07 | C08 | C10 | 179.2° | 171.1° |
| N07 | C02 | C01 | H1 | 53.8° | 62.4° |
| N07 | C02 | C01 | H2 | 173.9° | 177.7° |
| N07 | C02 | C01 | H3 | 66.1° | 57.6° |
| N07 | C02 | C03 | H5 | 71.9° | 65.3° |
| N07 | C02 | C03 | H6 | 168.8° | 174.6° |
| C02 | N07 | C06 | H11 | 162.5° | 66.2° |
| N07 | C08 | O09 | C10 | 179.8° | 179.9° |
| N07 | C08 | C10 | C11 | 144.9° | 166.7° |
| C08 | N07 | C02 | H4 | 11.9° | 113.8° |
| C08 | N07 | C06 | H11 | 16.4° | 113.9° |
| N07 | C08 | C10 | H12 | 94.0° | 73.4° |
| N07 | C08 | C10 | H13 | 23.9° | 46.6° |
| O09 | C08 | C10 | C11 | 34.8° | 13.2° |
| O09 | C08 | C10 | H12 | 86.2° | 106.7° |
| O09 | C08 | C10 | H13 | 155.9° | 133.3° |
| C08 | C10 | C11 | H12 | 121.0° | 119.9° |
| C08 | C10 | C11 | H13 | 121.1° | 120.1° |
| C08 | C10 | C11 | S12 | 158.6° | 180.0° |
| C08 | C10 | H12 | H13 | 116.7° | 120.0° |
| C08 | C10 | C11 | H14 | 37.7° | 60.1° |
| C08 | C10 | C11 | H15 | 80.4° | 59.9° |
| C10 | C11 | S12 | H14 | 121.0° | 119.9° |
| C10 | C11 | S12 | H15 | 120.9° | 120.1° |
| C11 | C10 | H12 | H13 | 116.7° | 120.0° |
| C10 | C11 | H14 | H15 | 117.0° | 120.0° |
| C10 | C11 | S12 | H16 | 180.0° | 180.0° |
| S12 | C11 | C10 | H12 | 80.3° | 60.1° |
| S12 | C11 | C10 | H13 | 37.6° | 59.9° |
| S12 | C11 | H14 | H15 | 117.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 64.4° | 57.9° |
| H2 | C01 | C02 | H4 | 55.6° | 62.0° |
| H3 | C01 | C02 | H4 | 175.6° | 177.9° |
| H4 | C02 | C03 | H5 | 46.8° | 174.9° |
| H4 | C02 | C03 | H6 | 72.5° | 54.7° |
| H5 | C03 | C04 | H7 | 50.2° | 61.5° |
| H5 | C03 | C04 | H8 | 169.6° | 178.6° |
| H6 | C03 | C04 | H7 | 69.1° | 58.6° |
| H6 | C03 | C04 | H8 | 50.3° | 61.3° |
| H7 | C04 | C05 | H9 | 68.9° | 61.5° |
| H7 | C04 | C05 | H10 | 49.9° | 58.6° |
| H8 | C04 | C05 | H9 | 50.5° | 178.7° |
| H8 | C04 | C05 | H10 | 169.3° | 61.3° |
| H9 | C05 | C06 | H11 | 77.0° | 174.9° |
| H10 | C05 | C06 | H11 | 41.8° | 54.8° |
| H12 | C10 | C11 | H14 | 158.7° | NaN° |
| H12 | C10 | C11 | H15 | 40.6° | 60.0° |
| H13 | C10 | C11 | H14 | 83.4° | 60.0° |
| H13 | C10 | C11 | H15 | 158.5° | 180.0° |
| H14 | C11 | S12 | H16 | 59.0° | 60.0° |
| H15 | C11 | S12 | H16 | 59.1° | 60.0° |
