T7Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.46Å | 1.42Å | |
| N02 | C03 | doub | 1.31Å | 1.45Å | |
| C03 | N04 | sing | 1.37Å | 1.42Å | |
| C03 | S33 | sing | 1.77Å | 1.65Å | |
| N04 | C05 | sing | 1.35Å | 1.49Å | |
| C05 | C06 | sing | 1.51Å | 1.50Å | |
| C05 | C07 | doub | 1.34Å | 1.44Å | |
| C07 | C08 | sing | 1.47Å | 1.52Å | |
| C07 | S33 | sing | 1.77Å | 1.61Å | |
| C08 | N09 | sing | 1.33Å | 1.36Å | Aromatic |
| C08 | C30 | doub | 1.42Å | 1.38Å | Aromatic |
| N09 | C10 | doub | 1.32Å | 1.36Å | Aromatic |
| C10 | N11 | sing | 1.38Å | 1.45Å | |
| C10 | N28 | sing | 1.33Å | 1.35Å | Aromatic |
| N11 | C12 | sing | 1.40Å | 1.47Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | S15 | sing | 1.76Å | 1.81Å | |
| C14 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| S15 | N16 | sing | 1.66Å | 1.64Å | |
| S15 | O22 | doub | 1.42Å | 1.43Å | |
| S15 | O23 | doub | 1.42Å | 1.44Å | |
| N16 | C17 | sing | 1.47Å | 1.36Å | |
| N16 | C21 | sing | 1.47Å | 1.36Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | O19 | sing | 1.43Å | 1.46Å | |
| O19 | C20 | sing | 1.43Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| N28 | C29 | doub | 1.32Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.42Å | Aromatic |
| C30 | C31 | sing | 1.43Å | 1.48Å | |
| C31 | N32 | trip | 1.14Å | 1.17Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| N04 | H04 | sing | 0.97Å | 1.00Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 120.9° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.4° |
| N02 | C01 | H012 | 109.5° | 109.4° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C03 | N04 | 125.8° | 127.5° |
| N02 | C03 | S33 | 124.0° | 127.5° |
| N04 | C03 | S33 | 110.2° | 105.0° |
| C03 | N04 | C05 | 109.7° | 117.0° |
| C03 | N04 | H04 | 125.1° | 121.5° |
| C03 | S33 | C07 | 99.7° | 94.5° |
| N04 | C05 | C06 | 122.3° | 121.0° |
| N04 | C05 | C07 | 110.9° | 118.0° |
| C05 | N04 | H04 | 125.1° | 121.5° |
| C06 | C05 | C07 | 126.8° | 121.1° |
| C05 | C06 | H061 | 109.5° | 109.5° |
| C05 | C06 | H062 | 109.5° | 109.5° |
| C05 | C06 | H063 | 109.4° | 109.5° |
| C05 | C07 | C08 | 124.8° | 127.2° |
| C05 | C07 | S33 | 109.5° | 105.6° |
| C08 | C07 | S33 | 125.7° | 127.2° |
| C07 | C08 | N09 | 119.8° | 120.6° |
| C07 | C08 | C30 | 118.9° | 120.7° |
| N09 | C08 | C30 | 121.3° | 118.7° |
| C08 | N09 | C10 | 120.3° | 120.7° |
| C08 | C30 | C29 | 116.8° | 118.1° |
| C08 | C30 | C31 | 120.1° | 120.9° |
| N09 | C10 | N11 | 120.3° | 118.9° |
| N09 | C10 | N28 | 120.8° | 122.1° |
| N11 | C10 | N28 | 118.9° | 119.0° |
| C10 | N11 | C12 | 125.1° | 120.0° |
| C10 | N11 | H11 | 117.5° | 120.0° |
| C10 | N28 | C29 | 120.4° | 121.3° |
| N11 | C12 | C13 | 119.8° | 120.1° |
| N11 | C12 | C27 | 121.3° | 120.1° |
| C12 | N11 | H11 | 117.5° | 120.0° |
| C13 | C12 | C27 | 118.9° | 119.8° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C12 | C27 | C26 | 121.5° | 119.9° |
| C12 | C27 | H27 | 119.3° | 120.0° |
| C13 | C14 | S15 | 118.6° | 120.0° |
| C13 | C14 | C24 | 120.3° | 120.0° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| S15 | C14 | C24 | 121.0° | 119.9° |
| C14 | S15 | N16 | 106.3° | 107.2° |
| C14 | S15 | O22 | 109.9° | 106.4° |
| C14 | S15 | O23 | 112.6° | 106.4° |
| C14 | C24 | C25 | 121.5° | 119.9° |
| C14 | C24 | C26 | 120.1° | 120.2° |
| N16 | S15 | O22 | 108.4° | 106.4° |
| N16 | S15 | O23 | 111.4° | 106.4° |
| S15 | N16 | C17 | 110.7° | 121.0° |
| S15 | N16 | C21 | 122.0° | 121.0° |
| O22 | S15 | O23 | 108.1° | 123.1° |
| C17 | N16 | C21 | 123.6° | 118.0° |
| N16 | C17 | C18 | 110.8° | 108.4° |
| N16 | C17 | H171 | 109.1° | 109.7° |
| N16 | C17 | H172 | 109.1° | 109.7° |
| N16 | C21 | C20 | 110.9° | 108.6° |
| N16 | C21 | H211 | 109.1° | 109.7° |
| N16 | C21 | H212 | 109.1° | 109.7° |
| C17 | C18 | O19 | 112.5° | 109.2° |
| C18 | C17 | H171 | 109.1° | 109.7° |
| C18 | C17 | H172 | 109.2° | 109.6° |
| C17 | C18 | H181 | 108.7° | 109.5° |
| C17 | C18 | H182 | 108.7° | 109.5° |
| C18 | O19 | C20 | 111.1° | 114.1° |
| O19 | C18 | H181 | 108.7° | 109.5° |
| O19 | C18 | H182 | 108.7° | 109.5° |
| O19 | C20 | C21 | 115.6° | 109.3° |
| O19 | C20 | H201 | 107.9° | 109.5° |
| O19 | C20 | H202 | 107.9° | 109.5° |
| C20 | C21 | H211 | 109.1° | 109.6° |
| C20 | C21 | H212 | 109.1° | 109.5° |
| C21 | C20 | H201 | 107.9° | 109.6° |
| C21 | C20 | H202 | 107.9° | 109.4° |
| C25 | C24 | C26 | 118.4° | 119.9° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.4° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C26 | C27 | 118.9° | 120.0° |
| C24 | C26 | H26 | 120.5° | 120.0° |
| C26 | C27 | H27 | 119.2° | 120.0° |
| C27 | C26 | H26 | 120.5° | 120.0° |
| N28 | C29 | C30 | 120.4° | 119.1° |
| N28 | C29 | H29 | 119.8° | 120.5° |
| C29 | C30 | C31 | 123.1° | 120.9° |
| C30 | C29 | H29 | 119.8° | 120.4° |
| C30 | C31 | N32 | 179.6° | 179.9° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.4° | 109.4° |
| H061 | C06 | H063 | 109.5° | 109.5° |
| H062 | C06 | H063 | 109.4° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.7° |
| H211 | C21 | H212 | 109.5° | 109.7° |
| H181 | C18 | H182 | 109.4° | 109.6° |
| H201 | C20 | H202 | 109.5° | 109.6° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | N04 | 62.3° | 0.0° |
| C01 | N02 | C03 | S33 | 119.0° | 179.7° |
| N02 | C01 | H011 | H012 | 120.0° | 119.9° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.1° |
| N02 | C03 | N04 | S33 | 178.9° | 179.7° |
| N02 | C03 | N04 | C05 | 179.3° | 180.0° |
| N02 | C03 | S33 | C07 | 179.3° | 179.9° |
| C03 | N02 | C01 | H011 | 180.0° | 180.0° |
| C03 | N02 | C01 | H012 | 60.0° | 60.1° |
| C03 | N02 | C01 | H013 | 60.0° | 60.0° |
| N02 | C03 | N04 | H04 | 0.7° | 0.1° |
| C03 | N04 | C05 | H04 | 180.0° | 180.0° |
| C03 | N04 | C05 | C06 | 178.6° | 180.0° |
| C03 | N04 | C05 | C07 | 0.3° | 0.0° |
| N04 | C03 | S33 | C07 | 0.3° | 0.3° |
| S33 | C03 | N04 | C05 | 0.4° | 0.3° |
| C03 | S33 | C07 | C05 | 0.2° | 0.3° |
| C03 | S33 | C07 | C08 | 178.5° | 179.9° |
| S33 | C03 | N04 | H04 | 179.6° | 179.8° |
| N04 | C05 | C06 | C07 | 178.7° | 180.0° |
| N04 | C05 | C07 | C08 | 178.3° | 180.0° |
| N04 | C05 | C07 | S33 | 0.0° | 0.2° |
| N04 | C05 | C06 | H061 | 180.0° | 0.0° |
| N04 | C05 | C06 | H062 | 60.0° | 120.0° |
| N04 | C05 | C06 | H063 | 60.0° | 120.1° |
| C06 | C05 | C07 | C08 | 2.9° | 0.0° |
| C06 | C05 | C07 | S33 | 178.8° | 179.7° |
| C06 | C05 | N04 | H04 | 1.4° | 0.1° |
| C05 | C06 | H061 | H062 | 120.0° | 120.0° |
| C05 | C06 | H061 | H063 | 120.0° | 120.1° |
| C05 | C06 | H062 | H063 | 120.0° | 120.0° |
| C05 | C07 | C08 | S33 | 178.0° | 179.7° |
| C05 | C07 | C08 | N09 | 132.1° | 0.0° |
| C05 | C07 | C08 | C30 | 45.9° | 179.7° |
| C07 | C05 | N04 | H04 | 179.8° | 180.0° |
| C07 | C05 | C06 | H061 | 1.3° | 180.0° |
| C07 | C05 | C06 | H062 | 121.3° | 60.0° |
| C07 | C05 | C06 | H063 | 118.7° | 60.0° |
| C07 | C08 | N09 | C30 | 178.0° | 179.7° |
| C07 | C08 | N09 | C10 | 179.7° | 180.0° |
| C07 | C08 | C30 | C29 | 178.7° | 179.7° |
| C07 | C08 | C30 | C31 | 3.3° | 0.0° |
| S33 | C07 | C08 | N09 | 45.9° | 179.7° |
| S33 | C07 | C08 | C30 | 136.0° | 0.0° |
| C08 | N09 | C10 | N11 | 178.1° | 180.0° |
| C08 | N09 | C10 | N28 | 2.3° | 0.0° |
| N09 | C08 | C30 | C29 | 0.7° | 0.6° |
| N09 | C08 | C30 | C31 | 178.6° | 179.8° |
| C30 | C08 | N09 | C10 | 1.7° | 0.3° |
| C08 | C30 | C29 | N28 | 0.3° | 0.5° |
| C08 | C30 | C29 | C31 | 177.9° | 179.7° |
| C08 | C30 | C31 | N32 | 47.6° | 50.4° |
| C08 | C30 | C29 | H29 | 179.7° | 179.7° |
| N09 | C10 | N11 | N28 | 179.7° | 179.9° |
| N09 | C10 | N11 | C12 | 17.5° | 174.4° |
| N09 | C10 | N28 | C29 | 1.9° | 0.0° |
| N09 | C10 | N11 | H11 | 162.5° | 5.5° |
| C10 | N11 | C12 | H11 | 180.0° | 179.9° |
| C10 | N11 | C12 | C13 | 16.7° | 146.2° |
| C10 | N11 | C12 | C27 | 166.1° | 34.0° |
| N11 | C10 | N28 | C29 | 178.4° | 180.0° |
| N28 | C10 | N11 | C12 | 162.9° | 5.5° |
| C10 | N28 | C29 | C30 | 0.9° | 0.3° |
| N28 | C10 | N11 | H11 | 17.2° | 174.5° |
| C10 | N28 | C29 | H29 | 179.1° | 180.0° |
| N11 | C12 | C13 | C27 | 177.3° | 179.8° |
| N11 | C12 | C13 | C14 | 178.3° | 180.0° |
| N11 | C12 | C27 | C26 | 178.7° | 179.7° |
| N11 | C12 | C13 | H13 | 1.7° | 0.1° |
| N11 | C12 | C27 | H27 | 1.3° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | S15 | 179.4° | 180.0° |
| C12 | C13 | C14 | C24 | 0.3° | 0.0° |
| C13 | C12 | C27 | C26 | 1.4° | 0.5° |
| C13 | C12 | N11 | H11 | 163.3° | 33.8° |
| C13 | C12 | C27 | H27 | 178.6° | 179.7° |
| C27 | C12 | C13 | C14 | 1.1° | 0.2° |
| C12 | C27 | C26 | C24 | 0.4° | 0.5° |
| C12 | C27 | C26 | H27 | 180.0° | 179.8° |
| C27 | C12 | N11 | H11 | 14.0° | 146.0° |
| C27 | C12 | C13 | H13 | 178.9° | 179.7° |
| C12 | C27 | C26 | H26 | 179.5° | 179.8° |
| C13 | C14 | S15 | C24 | 179.1° | 180.0° |
| C13 | C14 | S15 | N16 | 153.7° | 115.0° |
| C13 | C14 | S15 | O22 | 36.5° | 131.4° |
| C13 | C14 | S15 | O23 | 84.1° | 1.5° |
| C13 | C14 | C24 | C25 | 179.8° | 180.0° |
| C13 | C14 | C24 | C26 | 1.3° | 0.0° |
| C14 | S15 | N16 | O22 | 118.2° | 113.6° |
| C14 | S15 | N16 | O23 | 123.0° | 113.5° |
| C14 | S15 | O22 | O23 | 123.3° | 122.9° |
| C14 | S15 | N16 | C17 | 111.5° | 90.0° |
| C14 | S15 | N16 | C21 | 89.4° | 90.3° |
| S15 | C14 | C24 | C25 | 0.7° | 0.0° |
| S15 | C14 | C24 | C26 | 179.5° | 180.0° |
| S15 | C14 | C13 | H13 | 0.6° | 0.0° |
| C24 | C14 | S15 | N16 | 25.5° | 65.0° |
| C24 | C14 | S15 | O22 | 142.6° | 48.6° |
| C24 | C14 | S15 | O23 | 96.8° | 178.5° |
| C14 | C24 | C25 | C26 | 178.8° | 180.0° |
| C14 | C24 | C26 | C27 | 1.0° | 0.3° |
| C24 | C14 | C13 | H13 | 179.7° | 180.0° |
| C14 | C24 | C25 | H251 | 89.4° | 90.0° |
| C14 | C24 | C25 | H252 | 150.6° | 150.0° |
| C14 | C24 | C25 | H253 | 30.6° | 30.0° |
| C14 | C24 | C26 | H26 | 179.1° | 180.0° |
| N16 | S15 | O22 | O23 | 120.9° | 122.9° |
| S15 | N16 | C17 | C21 | 158.7° | 179.7° |
| S15 | N16 | C17 | C18 | 109.7° | 129.4° |
| S15 | N16 | C21 | C20 | 112.1° | 129.5° |
| S15 | N16 | C17 | H171 | 130.1° | 110.8° |
| S15 | N16 | C17 | H172 | 10.5° | 9.7° |
| S15 | N16 | C21 | H211 | 8.1° | 9.7° |
| S15 | N16 | C21 | H212 | 127.7° | 110.8° |
| O22 | S15 | N16 | C17 | 6.6° | 23.6° |
| O22 | S15 | N16 | C21 | 152.5° | 156.2° |
| O23 | S15 | N16 | C17 | 125.5° | 156.4° |
| O23 | S15 | N16 | C21 | 33.6° | 23.3° |
| N16 | C17 | C18 | H171 | 120.2° | 119.8° |
| N16 | C17 | C18 | H172 | 120.2° | 119.8° |
| N16 | C17 | C18 | O19 | 48.9° | 52.3° |
| C17 | N16 | C21 | C20 | 44.3° | 50.2° |
| N16 | C17 | H171 | H172 | 119.4° | 120.6° |
| C17 | N16 | C21 | H211 | 164.5° | 170.0° |
| C17 | N16 | C21 | H212 | 75.9° | 69.4° |
| N16 | C17 | C18 | H181 | 169.3° | 172.2° |
| N16 | C17 | C18 | H182 | 71.6° | 67.6° |
| C21 | N16 | C17 | C18 | 49.0° | 50.3° |
| N16 | C21 | C20 | O19 | 40.5° | 52.1° |
| N16 | C21 | C20 | H211 | 120.2° | 119.9° |
| N16 | C21 | C20 | H212 | 120.2° | 119.8° |
| C21 | N16 | C17 | H171 | 71.2° | 69.5° |
| C21 | N16 | C17 | H172 | 169.2° | 170.0° |
| N16 | C21 | H211 | H212 | 119.4° | 120.5° |
| N16 | C21 | C20 | H201 | 161.4° | 172.1° |
| N16 | C21 | C20 | H202 | 80.4° | 67.8° |
| C17 | C18 | O19 | H181 | 120.4° | 119.9° |
| C17 | C18 | O19 | H182 | 120.5° | 119.9° |
| C17 | C18 | O19 | C20 | 49.2° | 62.6° |
| C18 | C17 | H171 | H172 | 119.4° | 120.4° |
| C17 | C18 | H181 | H182 | 118.6° | 120.2° |
| C18 | O19 | C20 | C21 | 45.9° | 62.5° |
| O19 | C18 | C17 | H171 | 71.3° | 67.5° |
| O19 | C18 | C17 | H172 | 169.1° | 172.0° |
| O19 | C18 | H181 | H182 | 118.6° | 120.1° |
| C18 | O19 | C20 | H201 | 166.7° | 177.5° |
| C18 | O19 | C20 | H202 | 75.0° | 57.3° |
| O19 | C20 | C21 | H201 | 120.9° | 120.0° |
| O19 | C20 | C21 | H202 | 120.9° | 119.9° |
| O19 | C20 | C21 | H211 | 160.7° | 172.0° |
| O19 | C20 | C21 | H212 | 79.7° | 67.7° |
| C20 | O19 | C18 | H181 | 169.6° | 177.5° |
| C20 | O19 | C18 | H182 | 71.3° | 57.3° |
| O19 | C20 | H201 | H202 | 117.2° | 120.1° |
| C20 | C21 | H211 | H212 | 119.3° | 120.3° |
| C21 | C20 | H201 | H202 | 117.2° | 120.0° |
| C25 | C24 | C26 | C27 | 179.8° | 179.7° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C24 | C26 | H26 | 0.2° | 0.0° |
| C24 | C26 | C27 | H26 | 180.0° | 179.7° |
| C24 | C26 | C27 | H27 | 179.6° | 179.7° |
| C26 | C24 | C25 | H251 | 89.4° | 90.0° |
| C26 | C24 | C25 | H252 | 30.6° | 30.0° |
| C26 | C24 | C25 | H253 | 150.6° | 150.0° |
| N28 | C29 | C30 | H29 | 180.0° | 179.7° |
| N28 | C29 | C30 | C31 | 178.2° | 179.8° |
| C29 | C30 | C31 | N32 | 134.6° | 129.9° |
| C31 | C30 | C29 | H29 | 1.8° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H061 | C06 | H062 | H063 | 120.0° | 119.9° |
| H27 | C27 | C26 | H26 | 0.4° | 0.0° |
| H171 | C17 | C18 | H181 | 49.2° | 52.4° |
| H171 | C17 | C18 | H182 | 168.2° | 172.6° |
| H172 | C17 | C18 | H181 | 70.4° | 68.0° |
| H172 | C17 | C18 | H182 | 48.6° | 52.2° |
| H211 | C21 | C20 | H201 | 78.4° | 68.1° |
| H211 | C21 | C20 | H202 | 39.8° | 52.0° |
| H212 | C21 | C20 | H201 | 41.2° | 52.3° |
| H212 | C21 | C20 | H202 | 159.4° | 172.4° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |






