Z9I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | S02 | doub | 1.42Å | 1.47Å | |
| S02 | N05 | sing | 1.66Å | 1.70Å | |
| S02 | C01 | sing | 1.81Å | 1.80Å | |
| S02 | O03 | doub | 1.42Å | 1.48Å | |
| N05 | C06 | sing | 1.47Å | 1.31Å | |
| N05 | C09 | sing | 1.47Å | 1.55Å | |
| C06 | C07 | sing | 1.55Å | 1.62Å | |
| C10 | C09 | sing | 1.53Å | 1.43Å | |
| C10 | N11 | sing | 1.47Å | 1.46Å | |
| C09 | C08 | sing | 1.54Å | 1.55Å | |
| C07 | C08 | sing | 1.55Å | 1.29Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| N11 | H13 | sing | 1.01Å | 1.00Å | |
| N11 | H14 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | S02 | N05 | 111.2° | 104.2° |
| O04 | S02 | C01 | 114.7° | 110.5° |
| O04 | S02 | O03 | 101.1° | 121.1° |
| N05 | S02 | C01 | 107.8° | 104.4° |
| N05 | S02 | O03 | 111.2° | 104.3° |
| S02 | N05 | C06 | 121.8° | 125.6° |
| S02 | N05 | C09 | 125.1° | 125.7° |
| C01 | S02 | O03 | 110.7° | 110.6° |
| S02 | C01 | H3 | 109.5° | 109.5° |
| S02 | C01 | H4 | 109.5° | 109.4° |
| S02 | C01 | H5 | 109.5° | 109.5° |
| C06 | N05 | C09 | 104.7° | 108.7° |
| N05 | C06 | C07 | 107.9° | 104.9° |
| N05 | C06 | H6 | 109.9° | 110.4° |
| N05 | C06 | H7 | 109.9° | 110.4° |
| N05 | C09 | C10 | 110.5° | 109.8° |
| N05 | C09 | C08 | 106.2° | 107.3° |
| N05 | C09 | H12 | 109.5° | 109.9° |
| C06 | C07 | C08 | 107.9° | 101.6° |
| C07 | C06 | H6 | 109.9° | 110.4° |
| C07 | C06 | H7 | 109.8° | 110.4° |
| C06 | C07 | H8 | 109.9° | 111.0° |
| C06 | C07 | H9 | 109.9° | 111.0° |
| C09 | C10 | N11 | 111.8° | 109.4° |
| C10 | C09 | C08 | 110.0° | 109.8° |
| C09 | C10 | H1 | 108.8° | 109.5° |
| C09 | C10 | H2 | 108.9° | 109.5° |
| C10 | C09 | H12 | 111.1° | 109.9° |
| N11 | C10 | H1 | 108.9° | 109.4° |
| N11 | C10 | H2 | 108.9° | 109.5° |
| C10 | N11 | H13 | 109.5° | 111.0° |
| C10 | N11 | H14 | 109.5° | 111.0° |
| C09 | C08 | C07 | 106.9° | 102.9° |
| C09 | C08 | H10 | 110.1° | 110.9° |
| C09 | C08 | H11 | 110.1° | 110.7° |
| C08 | C09 | H12 | 109.4° | 110.1° |
| C08 | C07 | H8 | 109.8° | 111.0° |
| C08 | C07 | H9 | 109.8° | 111.0° |
| C07 | C08 | H10 | 110.1° | 110.7° |
| C07 | C08 | H11 | 110.1° | 110.7° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H6 | C06 | H7 | 109.5° | 110.4° |
| H8 | C07 | H9 | 109.5° | 110.9° |
| H10 | C08 | H11 | 109.5° | 110.6° |
| H13 | N11 | H14 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | S02 | N05 | C01 | 126.6° | 116.0° |
| O04 | S02 | N05 | O03 | 111.9° | 127.9° |
| O04 | S02 | C01 | O03 | 113.6° | 136.8° |
| O04 | S02 | N05 | C06 | 71.0° | 159.4° |
| O04 | S02 | N05 | C09 | 145.9° | 20.3° |
| O04 | S02 | C01 | H3 | 180.0° | 46.5° |
| O04 | S02 | C01 | H4 | 60.0° | 73.5° |
| O04 | S02 | C01 | H5 | 60.0° | 166.5° |
| N05 | S02 | C01 | O03 | 121.8° | 111.7° |
| S02 | N05 | C06 | C09 | 149.5° | 179.7° |
| S02 | N05 | C06 | C07 | 125.7° | 155.8° |
| S02 | N05 | C09 | C10 | 109.0° | 61.7° |
| S02 | N05 | C09 | C08 | 131.7° | 179.0° |
| N05 | S02 | C01 | H3 | 55.5° | 65.1° |
| N05 | S02 | C01 | H4 | 175.5° | 175.0° |
| N05 | S02 | C01 | H5 | 64.5° | 54.9° |
| S02 | N05 | C06 | H6 | 114.5° | 85.3° |
| S02 | N05 | C06 | H7 | 5.9° | 37.0° |
| S02 | N05 | C09 | H12 | 13.6° | 59.3° |
| C01 | S02 | N05 | C06 | 162.4° | 84.6° |
| C01 | S02 | N05 | C09 | 19.2° | 95.7° |
| S02 | C01 | H3 | H4 | 120.0° | 120.0° |
| S02 | C01 | H3 | H5 | 120.0° | 120.0° |
| S02 | C01 | H4 | H5 | 120.0° | 120.0° |
| O03 | S02 | N05 | C06 | 40.9° | 31.5° |
| O03 | S02 | N05 | C09 | 102.2° | 148.1° |
| O03 | S02 | C01 | H3 | 66.4° | 176.7° |
| O03 | S02 | C01 | H4 | 53.7° | 63.3° |
| O03 | S02 | C01 | H5 | 173.6° | 56.7° |
| N05 | C06 | C07 | H6 | 119.8° | 118.9° |
| N05 | C06 | C07 | H7 | 119.8° | 118.9° |
| C06 | N05 | C09 | C10 | 102.8° | 118.6° |
| C06 | N05 | C09 | C08 | 16.5° | 0.7° |
| N05 | C06 | C07 | C08 | 25.8° | 37.0° |
| N05 | C06 | H6 | H7 | 120.7° | 122.3° |
| N05 | C06 | C07 | H8 | 145.6° | 155.1° |
| N05 | C06 | C07 | H9 | 93.9° | 81.0° |
| C06 | N05 | C09 | H12 | 134.5° | 120.4° |
| C09 | N05 | C06 | C07 | 23.8° | 23.9° |
| N05 | C09 | C10 | C08 | 117.0° | 117.7° |
| N05 | C09 | C10 | H12 | 121.7° | 121.0° |
| N05 | C09 | C10 | N11 | 179.9° | 174.8° |
| N05 | C09 | C08 | H12 | 118.1° | 119.5° |
| N05 | C09 | C08 | C07 | 0.0° | 22.5° |
| N05 | C09 | C10 | H1 | 59.6° | 54.9° |
| N05 | C09 | C10 | H2 | 59.7° | 65.2° |
| C09 | N05 | C06 | H6 | 96.0° | 95.0° |
| C09 | N05 | C06 | H7 | 143.6° | 142.8° |
| N05 | C09 | C08 | H10 | 119.6° | 95.9° |
| N05 | C09 | C08 | H11 | 119.6° | 140.8° |
| C06 | C07 | C08 | C09 | 13.5° | 35.7° |
| C06 | C07 | C08 | H8 | 119.8° | 118.1° |
| C06 | C07 | C08 | H9 | 119.8° | 118.1° |
| C07 | C06 | H6 | H7 | 120.7° | 122.2° |
| C06 | C07 | H8 | H9 | 120.7° | 124.0° |
| C06 | C07 | C08 | H10 | 133.1° | 82.9° |
| C06 | C07 | C08 | H11 | 106.1° | 154.0° |
| C09 | C10 | N11 | H1 | 120.3° | 120.0° |
| C09 | C10 | N11 | H2 | 120.4° | 120.0° |
| C10 | C09 | C08 | H12 | 122.3° | 121.1° |
| C10 | C09 | C08 | C07 | 119.6° | 141.9° |
| C09 | C10 | H1 | H2 | 118.9° | 120.1° |
| C10 | C09 | C08 | H10 | 120.8° | 23.4° |
| C10 | C09 | C08 | H11 | 0.0° | 99.8° |
| C09 | C10 | N11 | H13 | 180.0° | 61.3° |
| C09 | C10 | N11 | H14 | 60.0° | 174.7° |
| N11 | C10 | C09 | C08 | 63.1° | 67.4° |
| N11 | C10 | H1 | H2 | 118.9° | 120.0° |
| N11 | C10 | C09 | H12 | 58.2° | 53.9° |
| C10 | N11 | H13 | H14 | 120.1° | 124.0° |
| C09 | C08 | C07 | H10 | 119.6° | 118.6° |
| C09 | C08 | C07 | H11 | 119.6° | 118.3° |
| C08 | C09 | C10 | H1 | 176.5° | 172.6° |
| C08 | C09 | C10 | H2 | 57.3° | 52.6° |
| C09 | C08 | C07 | H8 | 133.2° | 153.8° |
| C09 | C08 | C07 | H9 | 106.3° | 82.3° |
| C09 | C08 | H10 | H11 | 121.2° | 123.3° |
| C08 | C07 | C06 | H6 | 93.9° | 81.9° |
| C08 | C07 | C06 | H7 | 145.6° | 155.9° |
| C08 | C07 | H8 | H9 | 120.7° | 123.9° |
| C07 | C08 | H10 | H11 | 121.2° | 123.1° |
| C07 | C08 | C09 | H12 | 118.1° | 97.0° |
| H1 | C10 | C09 | H12 | 62.1° | 66.1° |
| H1 | C10 | N11 | H13 | 59.6° | 58.7° |
| H1 | C10 | N11 | H14 | 179.7° | 65.3° |
| H2 | C10 | C09 | H12 | 178.6° | 173.9° |
| H2 | C10 | N11 | H13 | 59.7° | 178.6° |
| H2 | C10 | N11 | H14 | 60.4° | 54.7° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C06 | C07 | H8 | 25.8° | 36.2° |
| H6 | C06 | C07 | H9 | 146.4° | 160.1° |
| H7 | C06 | C07 | H8 | 94.7° | 86.1° |
| H7 | C06 | C07 | H9 | 25.9° | 37.9° |
| H8 | C07 | C08 | H10 | 107.2° | 35.2° |
| H8 | C07 | C08 | H11 | 13.6° | 87.9° |
| H9 | C07 | C08 | H10 | 13.3° | 159.1° |
| H9 | C07 | C08 | H11 | 134.1° | 36.0° |
| H10 | C08 | C09 | H12 | 1.5° | 144.6° |
| H11 | C08 | C09 | H12 | 122.3° | 21.3° |
