SZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.31Å | 1.36Å | |
| C1 | C7 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | C8 | sing | 1.51Å | 1.52Å | |
| C13 | C3 | sing | 1.53Å | 1.50Å | |
| N15 | C3 | sing | 1.47Å | 1.32Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O22 | C4 | sing | 1.34Å | 1.37Å | |
| C4 | O19 | doub | 1.21Å | 1.23Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C12 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | O23 | sing | 1.43Å | 1.43Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | O22 | sing | 1.45Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| F27 | C13 | sing | 1.40Å | 1.36Å | |
| C13 | F25 | sing | 1.40Å | 1.34Å | |
| C13 | F26 | sing | 1.40Å | 1.35Å | |
| N14 | N15 | sing | 1.45Å | 1.14Å | |
| N14 | HN14 | sing | 1.01Å | 1.00Å | |
| N14 | HN1A | sing | 1.01Å | 1.00Å | |
| N15 | HN15 | sing | 1.01Å | 1.00Å | |
| P28 | O16 | sing | 1.61Å | 1.50Å | |
| O16 | HO16 | sing | 0.97Å | 0.95Å | |
| P28 | O17 | sing | 1.61Å | 1.50Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| O18 | P29 | doub | 1.48Å | 1.52Å | |
| O20 | P28 | doub | 1.48Å | 1.55Å | |
| P29 | O21 | sing | 1.61Å | 1.51Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| O23 | P29 | sing | 1.61Å | 1.61Å | |
| P29 | O24 | sing | 1.61Å | 1.61Å | |
| O24 | P28 | sing | 1.61Å | 1.63Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C7 | 131.7° | 120.0° |
| C2 | C1 | H1 | 114.2° | 120.0° |
| C1 | C2 | C5 | 126.2° | 120.0° |
| C1 | C2 | C8 | 120.8° | 120.0° |
| C7 | C1 | H1 | 114.2° | 120.0° |
| C1 | C7 | O23 | 106.4° | 109.5° |
| C1 | C7 | H7 | 110.5° | 109.5° |
| C1 | C7 | H7A | 110.5° | 109.5° |
| C5 | C2 | C8 | 112.9° | 120.0° |
| C2 | C5 | H5 | 109.5° | 109.4° |
| C2 | C5 | H5A | 109.5° | 109.5° |
| C2 | C5 | H5B | 109.5° | 109.5° |
| C2 | C8 | C9 | 118.6° | 109.5° |
| C2 | C8 | H8 | 106.6° | 109.5° |
| C2 | C8 | H8A | 106.5° | 109.5° |
| C13 | C3 | N15 | 117.5° | 109.5° |
| C13 | C3 | C4 | 126.4° | 109.5° |
| C13 | C3 | H3 | 56.4° | 109.5° |
| C3 | C13 | F27 | 111.2° | 109.5° |
| C3 | C13 | F25 | 118.4° | 109.5° |
| C3 | C13 | F26 | 111.1° | 109.4° |
| N15 | C3 | C4 | 116.1° | 109.4° |
| N15 | C3 | H3 | 171.7° | 109.4° |
| C3 | N15 | N14 | 177.4° | 111.0° |
| C3 | N15 | HN15 | 90.6° | 110.9° |
| C4 | C3 | H3 | 70.3° | 109.4° |
| C3 | C4 | O22 | 110.8° | 120.0° |
| C3 | C4 | O19 | 121.3° | 120.0° |
| O22 | C4 | O19 | 127.9° | 120.0° |
| C4 | O22 | C11 | 119.0° | 117.0° |
| H5 | C5 | H5A | 109.4° | 109.5° |
| H5 | C5 | H5B | 109.5° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| C12 | C6 | H6 | 109.5° | 109.5° |
| C12 | C6 | H6A | 109.4° | 109.5° |
| C12 | C6 | H6B | 109.5° | 109.5° |
| C6 | C12 | C10 | 106.1° | 109.5° |
| C6 | C12 | C11 | 112.0° | 109.5° |
| C6 | C12 | H12 | 110.3° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.4° |
| H6 | C6 | H6B | 109.5° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| O23 | C7 | H7 | 110.5° | 109.4° |
| O23 | C7 | H7A | 110.5° | 109.5° |
| C7 | O23 | P29 | 124.2° | 123.0° |
| H7 | C7 | H7A | 108.4° | 109.4° |
| C9 | C8 | H8 | 106.5° | 109.5° |
| C9 | C8 | H8A | 106.6° | 109.5° |
| C8 | C9 | C10 | 112.8° | 109.5° |
| C8 | C9 | H9 | 108.4° | 109.4° |
| C8 | C9 | H9A | 108.4° | 109.5° |
| H8 | C8 | H8A | 112.2° | 109.4° |
| C10 | C9 | H9 | 108.4° | 109.5° |
| C10 | C9 | H9A | 108.4° | 109.5° |
| C9 | C10 | C12 | 117.4° | 109.5° |
| C9 | C10 | H10 | 106.9° | 109.4° |
| C9 | C10 | H10A | 106.9° | 109.4° |
| H9 | C9 | H9A | 110.5° | 109.4° |
| C12 | C10 | H10 | 106.9° | 109.5° |
| C12 | C10 | H10A | 106.9° | 109.5° |
| C10 | C12 | C11 | 110.2° | 109.5° |
| C10 | C12 | H12 | 112.1° | 109.5° |
| H10 | C10 | H10A | 111.9° | 109.5° |
| O22 | C11 | C12 | 112.0° | 109.5° |
| O22 | C11 | H11 | 108.6° | 109.5° |
| O22 | C11 | H11A | 108.6° | 109.5° |
| C12 | C11 | H11 | 108.6° | 109.4° |
| C12 | C11 | H11A | 108.6° | 109.5° |
| C11 | C12 | H12 | 106.2° | 109.5° |
| H11 | C11 | H11A | 110.3° | 109.4° |
| F27 | C13 | F25 | 106.8° | 109.5° |
| F27 | C13 | F26 | 107.3° | 109.5° |
| F25 | C13 | F26 | 101.1° | 109.4° |
| N15 | N14 | HN14 | 109.5° | 111.0° |
| N15 | N14 | HN1A | 109.5° | 111.0° |
| N14 | N15 | HN15 | 90.7° | 111.0° |
| HN14 | N14 | HN1A | 109.5° | 111.0° |
| P28 | O16 | HO16 | 109.5° | 114.0° |
| O16 | P28 | O17 | 113.7° | 109.5° |
| O16 | P28 | O20 | 118.0° | 109.5° |
| O16 | P28 | O24 | 99.0° | 109.5° |
| P28 | O17 | HO17 | 109.5° | 114.0° |
| O17 | P28 | O20 | 113.8° | 109.4° |
| O17 | P28 | O24 | 104.5° | 109.5° |
| O18 | P29 | O21 | 114.5° | 109.4° |
| O18 | P29 | O23 | 113.1° | 109.5° |
| O18 | P29 | O24 | 109.6° | 109.4° |
| O20 | P28 | O24 | 105.3° | 109.5° |
| P29 | O21 | HO21 | 109.5° | 113.9° |
| O21 | P29 | O23 | 111.7° | 109.5° |
| O21 | P29 | O24 | 111.8° | 109.5° |
| O23 | P29 | O24 | 94.5° | 109.5° |
| P29 | O24 | P28 | 129.5° | 134.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C7 | H1 | 180.0° | 179.7° |
| C1 | C2 | C5 | C8 | 177.9° | 180.0° |
| C1 | C2 | C5 | H5 | 180.0° | 54.9° |
| C1 | C2 | C5 | H5A | 60.0° | 174.8° |
| C1 | C2 | C5 | H5B | 60.0° | 65.1° |
| C2 | C1 | C7 | O23 | 133.8° | 135.3° |
| C2 | C1 | C7 | H7 | 106.2° | 104.7° |
| C2 | C1 | C7 | H7A | 13.8° | 15.2° |
| C1 | C2 | C8 | C9 | 89.0° | 95.0° |
| C1 | C2 | C8 | H8 | 31.0° | 145.0° |
| C1 | C2 | C8 | H8A | 151.0° | 25.0° |
| C7 | C1 | C2 | C5 | 0.9° | 5.4° |
| C7 | C1 | C2 | C8 | 178.6° | 174.5° |
| C1 | C7 | O23 | H7 | 120.0° | 120.0° |
| C1 | C7 | O23 | H7A | 120.0° | 120.1° |
| C1 | C7 | H7 | H7A | 121.2° | 120.0° |
| C1 | C7 | O23 | P29 | 158.2° | 180.0° |
| H1 | C1 | C2 | C5 | 179.1° | 174.9° |
| H1 | C1 | C2 | C8 | 1.4° | 5.2° |
| H1 | C1 | C7 | O23 | 46.2° | 44.4° |
| H1 | C1 | C7 | H7 | 73.8° | 75.6° |
| H1 | C1 | C7 | H7A | 166.2° | 164.4° |
| C2 | C5 | H5 | H5A | 120.0° | 120.0° |
| C2 | C5 | H5 | H5B | 120.0° | 120.0° |
| C2 | C5 | H5A | H5B | 120.0° | 120.0° |
| C5 | C2 | C8 | C9 | 93.0° | 85.0° |
| C5 | C2 | C8 | H8 | 147.0° | 35.1° |
| C5 | C2 | C8 | H8A | 27.0° | 155.0° |
| C8 | C2 | C5 | H5 | 2.1° | 125.2° |
| C8 | C2 | C5 | H5A | 117.9° | 5.2° |
| C8 | C2 | C5 | H5B | 122.1° | 114.8° |
| C2 | C8 | C9 | H8 | 120.0° | 120.1° |
| C2 | C8 | C9 | H8A | 120.0° | 120.1° |
| C2 | C8 | H8 | H8A | 116.3° | 120.0° |
| C2 | C8 | C9 | C10 | 107.1° | 180.0° |
| C2 | C8 | C9 | H9 | 132.9° | 60.0° |
| C2 | C8 | C9 | H9A | 12.9° | 59.9° |
| C13 | C3 | N15 | C4 | 179.4° | 120.0° |
| C13 | C3 | N15 | H3 | 41.3° | 120.1° |
| C13 | C3 | C4 | H3 | 6.4° | 120.0° |
| C13 | C3 | C4 | O22 | 160.0° | 60.0° |
| C13 | C3 | C4 | O19 | 21.0° | 120.0° |
| C3 | C13 | F27 | F25 | 130.6° | 120.1° |
| C3 | C13 | F27 | F26 | 121.7° | 120.0° |
| C3 | C13 | F25 | F26 | 121.6° | 119.9° |
| C13 | C3 | N15 | N14 | 177.6° | 90.0° |
| C13 | C3 | N15 | HN15 | 62.4° | 33.9° |
| N15 | C3 | C4 | H3 | 174.2° | 119.9° |
| N15 | C3 | C4 | O22 | 20.7° | 180.0° |
| N15 | C3 | C4 | O19 | 158.3° | 0.0° |
| N15 | C3 | C13 | F27 | 58.7° | 180.0° |
| N15 | C3 | C13 | F25 | 177.1° | 59.9° |
| N15 | C3 | C13 | F26 | 60.7° | 60.0° |
| C3 | N15 | N14 | HN15 | 120.0° | 123.9° |
| C3 | N15 | N14 | HN14 | 180.0° | 179.9° |
| C3 | N15 | N14 | HN1A | 60.0° | 56.1° |
| C3 | C4 | O22 | O19 | 179.0° | 180.0° |
| C3 | C4 | O22 | C11 | 144.6° | 180.0° |
| C4 | C3 | C13 | F27 | 122.0° | 60.0° |
| C4 | C3 | C13 | F25 | 2.2° | 60.0° |
| C4 | C3 | C13 | F26 | 118.6° | 180.0° |
| C4 | C3 | N15 | N14 | 1.8° | 150.0° |
| C4 | C3 | N15 | HN15 | 118.2° | 86.1° |
| H3 | C3 | C4 | O22 | 153.5° | 60.1° |
| H3 | C3 | C4 | O19 | 27.4° | 120.0° |
| H3 | C3 | C13 | F27 | 114.7° | 60.0° |
| H3 | C3 | C13 | F25 | 9.5° | 180.0° |
| H3 | C3 | C13 | F26 | 125.9° | 60.0° |
| H3 | C3 | N15 | N14 | 141.1° | 30.1° |
| H3 | C3 | N15 | HN15 | 21.1° | 154.0° |
| C4 | O22 | C11 | C12 | 138.3° | 180.0° |
| C4 | O22 | C11 | H11 | 18.3° | 60.0° |
| C4 | O22 | C11 | H11A | 101.7° | 60.0° |
| O19 | C4 | O22 | C11 | 36.5° | 0.0° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |
| C12 | C6 | H6 | H6A | 120.0° | 120.0° |
| C12 | C6 | H6 | H6B | 120.0° | 120.0° |
| C12 | C6 | H6A | H6B | 120.0° | 120.0° |
| C6 | C12 | C10 | C9 | 170.7° | 65.0° |
| C6 | C12 | C10 | C11 | 121.5° | 120.0° |
| C6 | C12 | C10 | H12 | 120.5° | 120.0° |
| C6 | C12 | C10 | H10 | 69.3° | 175.0° |
| C6 | C12 | C10 | H10A | 50.7° | 55.0° |
| C6 | C12 | C11 | O22 | 45.8° | 65.0° |
| C6 | C12 | C11 | H12 | 120.5° | 120.0° |
| C6 | C12 | C11 | H11 | 74.2° | 175.0° |
| C6 | C12 | C11 | H11A | 165.8° | 55.0° |
| H6 | C6 | H6A | H6B | 120.0° | 119.9° |
| H6 | C6 | C12 | C10 | 180.0° | 60.0° |
| H6 | C6 | C12 | C11 | 59.7° | 60.0° |
| H6 | C6 | C12 | H12 | 58.4° | 180.0° |
| H6A | C6 | C12 | C10 | 60.0° | 60.0° |
| H6A | C6 | C12 | C11 | 60.3° | 180.0° |
| H6A | C6 | C12 | H12 | 178.4° | 60.0° |
| H6B | C6 | C12 | C10 | 60.0° | 180.0° |
| H6B | C6 | C12 | C11 | 179.7° | 60.0° |
| H6B | C6 | C12 | H12 | 61.7° | 60.0° |
| O23 | C7 | H7 | H7A | 121.3° | 120.0° |
| C7 | O23 | P29 | O18 | 35.1° | 55.0° |
| C7 | O23 | P29 | O21 | 166.0° | 64.9° |
| C7 | O23 | P29 | O24 | 78.4° | 175.0° |
| H7 | C7 | O23 | P29 | 38.2° | 60.0° |
| H7A | C7 | O23 | P29 | 81.9° | 59.9° |
| C9 | C8 | H8 | H8A | 116.2° | 119.9° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 118.7° | 119.9° |
| C8 | C9 | C10 | C12 | 69.4° | 180.0° |
| C8 | C9 | C10 | H10 | 170.6° | 60.0° |
| C8 | C9 | C10 | H10A | 50.6° | 60.0° |
| H8 | C8 | C9 | C10 | 12.9° | 59.9° |
| H8 | C8 | C9 | H9 | 107.1° | 179.9° |
| H8 | C8 | C9 | H9A | 132.9° | 60.1° |
| H8A | C8 | C9 | C10 | 132.9° | 60.0° |
| H8A | C8 | C9 | H9 | 12.9° | 60.1° |
| H8A | C8 | C9 | H9A | 107.1° | 180.0° |
| C10 | C9 | H9 | H9A | 118.6° | 120.0° |
| C9 | C10 | C12 | H10 | 120.0° | 120.0° |
| C9 | C10 | C12 | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10A | 116.7° | 120.0° |
| C9 | C10 | C12 | C11 | 67.8° | 175.0° |
| C9 | C10 | C12 | H12 | 50.3° | 55.0° |
| H9 | C9 | C10 | C12 | 50.6° | 60.0° |
| H9 | C9 | C10 | H10 | 69.4° | 180.0° |
| H9 | C9 | C10 | H10A | 170.6° | 60.0° |
| H9A | C9 | C10 | C12 | 170.6° | 60.0° |
| H9A | C9 | C10 | H10 | 50.6° | 60.0° |
| H9A | C9 | C10 | H10A | 69.4° | 180.0° |
| C12 | C10 | H10 | H10A | 116.8° | 120.0° |
| C10 | C12 | C11 | O22 | 163.6° | 175.0° |
| C10 | C12 | C11 | H12 | 121.7° | 120.0° |
| C10 | C12 | C11 | H11 | 43.6° | 54.9° |
| C10 | C12 | C11 | H11A | 76.4° | 65.0° |
| H10 | C10 | C12 | C11 | 52.2° | 55.0° |
| H10 | C10 | C12 | H12 | 170.2° | 65.0° |
| H10A | C10 | C12 | C11 | 172.2° | 65.0° |
| H10A | C10 | C12 | H12 | 69.7° | 175.0° |
| O22 | C11 | C12 | H11 | 120.0° | 120.0° |
| O22 | C11 | C12 | H11A | 120.0° | 120.0° |
| O22 | C11 | H11 | H11A | 119.0° | 120.0° |
| O22 | C11 | C12 | H12 | 74.7° | 55.0° |
| C12 | C11 | H11 | H11A | 118.9° | 119.9° |
| H11 | C11 | C12 | H12 | 165.3° | 65.1° |
| H11A | C11 | C12 | H12 | 45.3° | 175.0° |
| F27 | C13 | F25 | F26 | 112.0° | 120.0° |
| N15 | N14 | HN14 | HN1A | 120.0° | 123.9° |
| HN14 | N14 | N15 | HN15 | 60.0° | 56.1° |
| HN1A | N14 | N15 | HN15 | 180.0° | 180.0° |
| O16 | P28 | O17 | O20 | 138.8° | 120.0° |
| O16 | P28 | O17 | O24 | 106.8° | 120.0° |
| O16 | P28 | O17 | HO17 | 138.8° | 60.0° |
| O16 | P28 | O20 | O24 | 109.2° | 120.0° |
| O16 | P28 | O24 | P29 | 173.4° | 160.1° |
| HO16 | O16 | P28 | O17 | 137.0° | 60.0° |
| HO16 | O16 | P28 | O20 | 0.0° | 60.0° |
| HO16 | O16 | P28 | O24 | 112.8° | 180.0° |
| O17 | P28 | O20 | O24 | 113.8° | 120.0° |
| O17 | P28 | O24 | P29 | 55.9° | 79.9° |
| HO17 | O17 | P28 | O20 | 0.0° | 180.0° |
| HO17 | O17 | P28 | O24 | 114.4° | 60.0° |
| O18 | P29 | O21 | O23 | 130.2° | 120.0° |
| O18 | P29 | O21 | O24 | 125.3° | 119.9° |
| O18 | P29 | O21 | HO21 | 0.0° | 180.0° |
| O18 | P29 | O23 | O24 | 113.5° | 120.0° |
| O18 | P29 | O24 | P28 | 2.4° | 45.0° |
| O20 | P28 | O24 | P29 | 64.2° | 40.1° |
| O21 | P29 | O23 | O24 | 115.6° | 120.1° |
| O21 | P29 | O24 | P28 | 130.4° | 74.9° |
| HO21 | O21 | P29 | O23 | 130.2° | 60.1° |
| HO21 | O21 | P29 | O24 | 125.3° | 60.0° |
| O23 | P29 | O24 | P28 | 114.0° | 165.0° |
