H7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C10 | C9 | sing | 1.55Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C12 | N1 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| N1 | S | sing | 1.66Å | 1.62Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| N | C8 | sing | 1.47Å | 1.48Å | |
| N | S | sing | 1.66Å | 1.62Å | |
| C8 | C1 | sing | 1.53Å | 1.55Å | |
| S | O3 | doub | 1.42Å | 1.44Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| O1 | C | doub | 1.21Å | 1.31Å | |
| C | O | sing | 1.34Å | 1.22Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 105.8° | 101.6° |
| C10 | C11 | C12 | 105.5° | 102.9° |
| C11 | C10 | H4 | 110.4° | 111.0° |
| C11 | C10 | H5 | 110.4° | 111.0° |
| C10 | C11 | H6 | 110.5° | 110.7° |
| C10 | C11 | H7 | 110.5° | 110.7° |
| C10 | C9 | N1 | 104.9° | 104.8° |
| C9 | C10 | H4 | 110.4° | 111.0° |
| C9 | C10 | H5 | 110.3° | 111.0° |
| C10 | C9 | H23 | 110.6° | 110.3° |
| C10 | C9 | H24 | 110.6° | 110.3° |
| C11 | C12 | N1 | 103.4° | 107.3° |
| C12 | C11 | H6 | 110.4° | 110.7° |
| C12 | C11 | H7 | 110.5° | 110.8° |
| C11 | C12 | H8 | 111.0° | 109.9° |
| C11 | C12 | H9 | 111.0° | 109.8° |
| C9 | N1 | C12 | 106.4° | 108.7° |
| C9 | N1 | S | 114.1° | 125.7° |
| N1 | C9 | H23 | 110.6° | 110.4° |
| N1 | C9 | H24 | 110.6° | 110.4° |
| C12 | N1 | S | 113.1° | 125.6° |
| N1 | C12 | H8 | 111.0° | 109.9° |
| N1 | C12 | H9 | 110.9° | 109.9° |
| C7 | C6 | C5 | 109.2° | 109.4° |
| C6 | C7 | C8 | 109.5° | 109.5° |
| C7 | C6 | H18 | 109.6° | 109.5° |
| C7 | C6 | H19 | 109.5° | 109.5° |
| C6 | C7 | H20 | 109.5° | 109.5° |
| C6 | C7 | H21 | 109.5° | 109.4° |
| C6 | C5 | C4 | 114.8° | 109.4° |
| C6 | C5 | H16 | 108.1° | 109.4° |
| C6 | C5 | H17 | 108.1° | 109.4° |
| C5 | C6 | H18 | 109.5° | 109.5° |
| C5 | C6 | H19 | 109.6° | 109.4° |
| N1 | S | N | 113.5° | 107.2° |
| N1 | S | O3 | 108.8° | 106.4° |
| N1 | S | O2 | 108.6° | 106.4° |
| C7 | C8 | N | 107.3° | 109.4° |
| C7 | C8 | C1 | 115.5° | 109.5° |
| C8 | C7 | H20 | 109.5° | 109.5° |
| C8 | C7 | H21 | 109.5° | 109.4° |
| C7 | C8 | H22 | 106.5° | 109.5° |
| C5 | C4 | C3 | 116.1° | 109.5° |
| C5 | C4 | H14 | 107.8° | 109.4° |
| C5 | C4 | H15 | 107.8° | 109.5° |
| C4 | C5 | H16 | 108.1° | 109.5° |
| C4 | C5 | H17 | 108.2° | 109.5° |
| C8 | N | S | 109.7° | 120.0° |
| N | C8 | C1 | 113.6° | 109.5° |
| C8 | N | H1 | 109.4° | 120.0° |
| N | C8 | H22 | 107.1° | 109.5° |
| N | S | O3 | 108.3° | 106.4° |
| N | S | O2 | 106.8° | 106.5° |
| S | N | H1 | 109.4° | 120.0° |
| C8 | C1 | C2 | 113.1° | 109.4° |
| C8 | C1 | C | 114.4° | 109.5° |
| C8 | C1 | H3 | 106.6° | 109.5° |
| C1 | C8 | H22 | 106.3° | 109.5° |
| O3 | S | O2 | 110.8° | 123.1° |
| C4 | C3 | C2 | 113.3° | 109.6° |
| C4 | C3 | H12 | 108.5° | 109.4° |
| C4 | C3 | H13 | 108.5° | 109.5° |
| C3 | C4 | H14 | 107.8° | 109.5° |
| C3 | C4 | H15 | 107.8° | 109.5° |
| C3 | C2 | C1 | 108.8° | 109.4° |
| C3 | C2 | H10 | 109.6° | 109.5° |
| C3 | C2 | H11 | 109.6° | 109.5° |
| C2 | C3 | H12 | 108.5° | 109.4° |
| C2 | C3 | H13 | 108.5° | 109.5° |
| C2 | C1 | C | 108.3° | 109.5° |
| C2 | C1 | H3 | 106.9° | 109.5° |
| C1 | C2 | H10 | 109.6° | 109.5° |
| C1 | C2 | H11 | 109.6° | 109.4° |
| C1 | C | O1 | 119.2° | 120.0° |
| C1 | C | O | 121.8° | 119.9° |
| C | C1 | H3 | 107.1° | 109.5° |
| O1 | C | O | 118.9° | 120.1° |
| C | O | H2 | 109.5° | 117.0° |
| H4 | C10 | H5 | 109.5° | 110.8° |
| H6 | C11 | H7 | 109.4° | 110.8° |
| H8 | C12 | H9 | 109.5° | 110.0° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.5° | 109.4° |
| H16 | C5 | H17 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.5° | 109.5° |
| H20 | C7 | H21 | 109.4° | 109.5° |
| H23 | C9 | H24 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H4 | 119.4° | 118.1° |
| C11 | C10 | C9 | H5 | 119.4° | 118.1° |
| C10 | C11 | C12 | H6 | 119.4° | 118.3° |
| C10 | C11 | C12 | H7 | 119.4° | 118.4° |
| C11 | C10 | C9 | N1 | 15.1° | 37.0° |
| C10 | C11 | C12 | N1 | 27.7° | 22.2° |
| C11 | C10 | H4 | H5 | 121.7° | 123.9° |
| C10 | C11 | H6 | H7 | 121.9° | 123.2° |
| C10 | C11 | C12 | H8 | 146.7° | 97.2° |
| C10 | C11 | C12 | H9 | 91.3° | 141.6° |
| C11 | C10 | C9 | H23 | 104.2° | 81.8° |
| C11 | C10 | C9 | H24 | 134.4° | 155.9° |
| C9 | C10 | C11 | C12 | 7.7° | 35.5° |
| C10 | C9 | N1 | H23 | 119.3° | 118.8° |
| C10 | C9 | N1 | H24 | 119.3° | 118.8° |
| C10 | C9 | N1 | C12 | 33.5° | 24.1° |
| C10 | C9 | N1 | S | 159.0° | 155.9° |
| C9 | C10 | H4 | H5 | 121.6° | 123.9° |
| C9 | C10 | C11 | H6 | 111.6° | 153.9° |
| C9 | C10 | C11 | H7 | 127.1° | 82.9° |
| C10 | C9 | H23 | H24 | 122.1° | 122.3° |
| C11 | C12 | N1 | C9 | 38.3° | 1.0° |
| C11 | C12 | N1 | H8 | 119.1° | 119.4° |
| C11 | C12 | N1 | H9 | 119.0° | 119.4° |
| C11 | C12 | N1 | S | 164.3° | 178.9° |
| C12 | C11 | C10 | H4 | 111.7° | 153.6° |
| C12 | C11 | C10 | H5 | 127.1° | 82.6° |
| C12 | C11 | H6 | H7 | 121.8° | 123.3° |
| C11 | C12 | H8 | H9 | 122.8° | 121.0° |
| C9 | N1 | C12 | S | 126.1° | 180.0° |
| C9 | N1 | S | N | 28.7° | 90.0° |
| C9 | N1 | S | O3 | 149.3° | 23.5° |
| C9 | N1 | S | O2 | 90.0° | 156.4° |
| N1 | C9 | C10 | H4 | 134.6° | 155.1° |
| N1 | C9 | C10 | H5 | 104.3° | 81.1° |
| C9 | N1 | C12 | H8 | 157.3° | 120.5° |
| C9 | N1 | C12 | H9 | 80.8° | 118.3° |
| N1 | C9 | H23 | H24 | 122.2° | 122.4° |
| C12 | N1 | S | N | 93.2° | 90.0° |
| C12 | N1 | S | O3 | 27.4° | 156.4° |
| C12 | N1 | S | O2 | 148.1° | 23.6° |
| N1 | C12 | C11 | H6 | 91.7° | 140.5° |
| N1 | C12 | C11 | H7 | 147.1° | 96.1° |
| N1 | C12 | H8 | H9 | 122.8° | 121.1° |
| C12 | N1 | C9 | H23 | 85.7° | 94.7° |
| C12 | N1 | C9 | H24 | 152.8° | 142.9° |
| C7 | C6 | C5 | H18 | 120.0° | 120.0° |
| C7 | C6 | C5 | H19 | 119.9° | 119.9° |
| C6 | C7 | C8 | H20 | 120.0° | 120.0° |
| C6 | C7 | C8 | H21 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 98.1° | 75.9° |
| C6 | C7 | C8 | N | 130.3° | 164.1° |
| C6 | C7 | C8 | C1 | 101.8° | 44.0° |
| C7 | C6 | C5 | H16 | 141.1° | 44.1° |
| C7 | C6 | C5 | H17 | 22.7° | 164.0° |
| C7 | C6 | H18 | H19 | 120.1° | 120.0° |
| C6 | C7 | H20 | H21 | 120.0° | 120.0° |
| C6 | C7 | C8 | H22 | 15.9° | 75.9° |
| C5 | C6 | C7 | C8 | 95.0° | 112.9° |
| C6 | C5 | C4 | H16 | 120.8° | 120.0° |
| C6 | C5 | C4 | H17 | 120.8° | 120.0° |
| C6 | C5 | C4 | C3 | 59.8° | 76.0° |
| C6 | C5 | C4 | H14 | 61.2° | 164.0° |
| C6 | C5 | C4 | H15 | 179.3° | 44.0° |
| C6 | C5 | H16 | H17 | 117.6° | 119.9° |
| C5 | C6 | H18 | H19 | 120.1° | 120.0° |
| C5 | C6 | C7 | H20 | 25.1° | 7.1° |
| C5 | C6 | C7 | H21 | 145.1° | 127.1° |
| N1 | S | N | C8 | 119.4° | 65.0° |
| N1 | S | N | O3 | 120.9° | 113.5° |
| N1 | S | N | O2 | 119.7° | 113.6° |
| N1 | S | O3 | O2 | 119.3° | 122.9° |
| N1 | S | N | H1 | 120.6° | 114.7° |
| S | N1 | C12 | H8 | 76.6° | 59.5° |
| S | N1 | C12 | H9 | 45.3° | 61.7° |
| S | N1 | C9 | H23 | 39.8° | 85.3° |
| S | N1 | C9 | H24 | 81.7° | 37.0° |
| C7 | C8 | N | C1 | 129.0° | 120.0° |
| C7 | C8 | N | H22 | 114.0° | 120.0° |
| C7 | C8 | N | S | 142.0° | 95.9° |
| C7 | C8 | C1 | H22 | 117.9° | 120.0° |
| C7 | C8 | C1 | C2 | 46.2° | 76.0° |
| C7 | C8 | C1 | C | 78.5° | 164.1° |
| C7 | C8 | N | H1 | 98.0° | 84.5° |
| C7 | C8 | C1 | H3 | 163.3° | 44.1° |
| C8 | C7 | C6 | H18 | 25.0° | 127.0° |
| C8 | C7 | C6 | H19 | 145.1° | 7.0° |
| C8 | C7 | H20 | H21 | 120.0° | 119.9° |
| C5 | C4 | C3 | H14 | 120.9° | 120.0° |
| C5 | C4 | C3 | H15 | 120.9° | 120.0° |
| C5 | C4 | C3 | C2 | 37.9° | 113.0° |
| C5 | C4 | C3 | H12 | 82.7° | 7.0° |
| C5 | C4 | C3 | H13 | 158.4° | 127.0° |
| C5 | C4 | H14 | H15 | 117.0° | 120.0° |
| C4 | C5 | H16 | H17 | 117.6° | 120.1° |
| C4 | C5 | C6 | H18 | 21.8° | 164.1° |
| C4 | C5 | C6 | H19 | 141.9° | 44.0° |
| C8 | N | S | H1 | 120.0° | 179.7° |
| N | C8 | C1 | H22 | 117.5° | 120.0° |
| C8 | N | S | O3 | 1.5° | 48.6° |
| C8 | N | S | O2 | 120.9° | 178.5° |
| N | C8 | C1 | C2 | 170.8° | 44.0° |
| N | C8 | C1 | C | 46.2° | 75.9° |
| N | C8 | C1 | H3 | 72.0° | 164.0° |
| N | C8 | C7 | H20 | 109.6° | 44.0° |
| N | C8 | C7 | H21 | 10.3° | 76.0° |
| S | N | C8 | C1 | 89.1° | 144.2° |
| N | S | O3 | O2 | 116.9° | 123.0° |
| S | N | C8 | H22 | 27.9° | 24.2° |
| C8 | C1 | C2 | C3 | 57.8° | 76.0° |
| C8 | C1 | C2 | C | 127.9° | 119.9° |
| C8 | C1 | C2 | H3 | 117.0° | 120.0° |
| C8 | C1 | C | H3 | 117.9° | 120.0° |
| C8 | C1 | C | O1 | 45.9° | 0.1° |
| C8 | C1 | C | O | 137.0° | 180.0° |
| C1 | C8 | N | H1 | 30.9° | 35.5° |
| C8 | C1 | C2 | H10 | 177.7° | 44.0° |
| C8 | C1 | C2 | H11 | 62.1° | 164.1° |
| C1 | C8 | C7 | H20 | 18.2° | 76.0° |
| C1 | C8 | C7 | H21 | 138.2° | 164.0° |
| O3 | S | N | H1 | 118.5° | 131.8° |
| O2 | S | N | H1 | 0.9° | 1.1° |
| C4 | C3 | C2 | H12 | 120.6° | 120.0° |
| C4 | C3 | C2 | H13 | 120.6° | 120.1° |
| C4 | C3 | C2 | C1 | 118.5° | 44.0° |
| C4 | C3 | C2 | H10 | 121.6° | 164.0° |
| C4 | C3 | C2 | H11 | 1.4° | 76.0° |
| C4 | C3 | H12 | H13 | 118.3° | 119.9° |
| C3 | C4 | H14 | H15 | 117.0° | 120.0° |
| C3 | C4 | C5 | H16 | 179.4° | 44.0° |
| C3 | C4 | C5 | H17 | 61.0° | 164.0° |
| C3 | C2 | C1 | H10 | 119.9° | 120.0° |
| C3 | C2 | C1 | H11 | 119.9° | 119.9° |
| C3 | C2 | C1 | C | 174.3° | 164.1° |
| C3 | C2 | C1 | H3 | 59.2° | 44.0° |
| C3 | C2 | H10 | H11 | 120.3° | 120.0° |
| C2 | C3 | H12 | H13 | 118.2° | 120.0° |
| C2 | C3 | C4 | H14 | 158.8° | 127.0° |
| C2 | C3 | C4 | H15 | 83.1° | 7.1° |
| C2 | C1 | C | H3 | 114.9° | 120.1° |
| C2 | C1 | C | O1 | 173.0° | 120.0° |
| C2 | C1 | C | O | 9.8° | 60.0° |
| C1 | C2 | H10 | H11 | 120.3° | 120.0° |
| C1 | C2 | C3 | H12 | 2.1° | 76.0° |
| C1 | C2 | C3 | H13 | 121.0° | 164.0° |
| C2 | C1 | C8 | H22 | 71.7° | 164.0° |
| C1 | C | O1 | O | 177.2° | 179.9° |
| C1 | C | O | H2 | 177.1° | 180.0° |
| C | C1 | C2 | H10 | 54.4° | 75.9° |
| C | C1 | C2 | H11 | 65.8° | 44.1° |
| C | C1 | C8 | H22 | 163.6° | 44.1° |
| O1 | C | O | H2 | 0.0° | 0.0° |
| O1 | C | C1 | H3 | 72.1° | 119.9° |
| O | C | C1 | H3 | 105.1° | 60.0° |
| H1 | N | C8 | H22 | 147.9° | 155.5° |
| H3 | C1 | C2 | H10 | 60.7° | 164.0° |
| H3 | C1 | C2 | H11 | 179.1° | 75.9° |
| H3 | C1 | C8 | H22 | 45.4° | 75.9° |
| H4 | C10 | C11 | H6 | 128.9° | 88.0° |
| H4 | C10 | C11 | H7 | 7.7° | 35.2° |
| H4 | C10 | C9 | H23 | 15.3° | 36.3° |
| H4 | C10 | C9 | H24 | 106.2° | 86.0° |
| H5 | C10 | C11 | H6 | 7.8° | 35.8° |
| H5 | C10 | C11 | H7 | 113.5° | 159.0° |
| H5 | C10 | C9 | H23 | 136.4° | 160.1° |
| H5 | C10 | C9 | H24 | 15.0° | 37.8° |
| H6 | C11 | C12 | H8 | 27.3° | 21.1° |
| H6 | C11 | C12 | H9 | 149.3° | 100.0° |
| H7 | C11 | C12 | H8 | 93.9° | 144.4° |
| H7 | C11 | C12 | H9 | 28.1° | 23.3° |
| H10 | C2 | C3 | H12 | 117.8° | 44.0° |
| H10 | C2 | C3 | H13 | 1.1° | 76.0° |
| H11 | C2 | C3 | H12 | 122.0° | 164.1° |
| H11 | C2 | C3 | H13 | 119.1° | 44.1° |
| H12 | C3 | C4 | H14 | 38.2° | 113.0° |
| H12 | C3 | C4 | H15 | 156.3° | 127.1° |
| H13 | C3 | C4 | H14 | 80.6° | 7.0° |
| H13 | C3 | C4 | H15 | 37.5° | 113.0° |
| H14 | C4 | C5 | H16 | 59.6° | 76.0° |
| H14 | C4 | C5 | H17 | 178.1° | 44.0° |
| H15 | C4 | C5 | H16 | 58.5° | 164.0° |
| H15 | C4 | C5 | H17 | 60.0° | 75.9° |
| H16 | C5 | C6 | H18 | 99.0° | 75.9° |
| H16 | C5 | C6 | H19 | 21.1° | 164.0° |
| H17 | C5 | C6 | H18 | 142.6° | 44.0° |
| H17 | C5 | C6 | H19 | 97.3° | 76.0° |
| H18 | C6 | C7 | H20 | 145.0° | 113.0° |
| H18 | C6 | C7 | H21 | 95.0° | 7.1° |
| H19 | C6 | C7 | H20 | 94.9° | 127.0° |
| H19 | C6 | C7 | H21 | 25.1° | 112.9° |
| H20 | C7 | C8 | H22 | 135.9° | 164.0° |
| H21 | C7 | C8 | H22 | 104.1° | 44.0° |
