T7V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.35Å | 1.34Å | |
| C04 | O05 | doub | 1.21Å | 1.24Å | |
| C04 | C06 | sing | 1.51Å | 1.53Å | |
| C02 | N03 | sing | 1.46Å | 1.47Å | |
| C02 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | CL13 | sing | 1.74Å | 1.74Å | |
| C12 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C08 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 110.1° | 109.5° |
| C01 | C02 | C08 | 114.6° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C01 | C02 | H021 | 106.3° | 109.4° |
| N03 | C04 | O05 | 123.6° | 120.0° |
| N03 | C04 | C06 | 118.2° | 120.0° |
| C04 | N03 | C02 | 125.7° | 120.0° |
| C04 | N03 | H031 | 117.1° | 120.0° |
| O05 | C04 | C06 | 118.2° | 120.0° |
| C04 | C06 | H1 | 109.5° | 109.4° |
| C04 | C06 | H062 | 109.5° | 109.5° |
| C04 | C06 | H061 | 109.5° | 109.5° |
| N03 | C02 | C08 | 112.0° | 109.5° |
| N03 | C02 | H021 | 106.9° | 109.5° |
| C02 | N03 | H031 | 117.1° | 120.0° |
| C02 | C08 | C09 | 123.0° | 120.0° |
| C02 | C08 | C14 | 118.9° | 120.0° |
| C08 | C02 | H021 | 106.3° | 109.5° |
| C08 | C09 | C10 | 120.5° | 120.1° |
| C09 | C08 | C14 | 118.1° | 120.0° |
| C08 | C09 | H091 | 119.8° | 120.0° |
| C09 | C10 | C11 | 120.8° | 120.0° |
| C09 | C10 | H101 | 119.6° | 120.0° |
| C10 | C09 | H091 | 119.7° | 120.0° |
| C10 | C11 | C12 | 118.4° | 120.0° |
| C11 | C10 | H101 | 119.6° | 120.0° |
| C10 | C11 | H111 | 120.8° | 120.0° |
| C11 | C12 | CL13 | 119.8° | 120.0° |
| C11 | C12 | C14 | 121.4° | 119.9° |
| C12 | C11 | H111 | 120.8° | 120.0° |
| CL13 | C12 | C14 | 118.8° | 120.1° |
| C12 | C14 | C08 | 120.7° | 120.0° |
| C12 | C14 | H141 | 119.7° | 120.0° |
| C08 | C14 | H141 | 119.6° | 120.0° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H1 | C06 | H062 | 109.5° | 109.5° |
| H1 | C06 | H061 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | C04 | 59.1° | 85.0° |
| C01 | C02 | N03 | C08 | 128.8° | 120.0° |
| C01 | C02 | N03 | H021 | 115.1° | 120.0° |
| C01 | C02 | C08 | H021 | 117.2° | 120.0° |
| C01 | C02 | C08 | C09 | 13.4° | 100.0° |
| C01 | C02 | C08 | C14 | 169.4° | 80.5° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | N03 | H031 | 120.9° | 95.0° |
| N03 | C04 | O05 | C06 | 179.9° | 180.0° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | C08 | 69.7° | 155.0° |
| C04 | N03 | C02 | H021 | 174.2° | 35.0° |
| N03 | C04 | C06 | H1 | 179.9° | 180.0° |
| N03 | C04 | C06 | H062 | 60.1° | 60.0° |
| N03 | C04 | C06 | H061 | 59.9° | 60.0° |
| O05 | C04 | N03 | C02 | 0.2° | 0.0° |
| O05 | C04 | C06 | H1 | 0.0° | 0.0° |
| O05 | C04 | C06 | H062 | 120.0° | 120.0° |
| O05 | C04 | C06 | H061 | 120.0° | 120.0° |
| O05 | C04 | N03 | H031 | 179.8° | 179.9° |
| C06 | C04 | N03 | C02 | 179.7° | 180.0° |
| C04 | C06 | H1 | H062 | 120.0° | 120.0° |
| C04 | C06 | H1 | H061 | 120.0° | 120.0° |
| C04 | C06 | H062 | H061 | 120.0° | 120.1° |
| C06 | C04 | N03 | H031 | 0.3° | 0.1° |
| N03 | C02 | C08 | H021 | 116.4° | 120.0° |
| N03 | C02 | C08 | C09 | 139.8° | 140.0° |
| N03 | C02 | C08 | C14 | 43.0° | 39.5° |
| N03 | C02 | C01 | H012 | 180.0° | 60.0° |
| N03 | C02 | C01 | H011 | 60.0° | 180.0° |
| N03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C02 | C08 | C09 | C14 | 177.2° | 179.5° |
| C02 | C08 | C09 | C10 | 178.8° | 180.0° |
| C02 | C08 | C14 | C12 | 178.4° | 179.8° |
| C08 | C02 | C01 | H012 | 52.6° | 180.0° |
| C08 | C02 | C01 | H011 | 67.4° | 60.0° |
| C08 | C02 | C01 | H013 | 172.6° | 60.0° |
| C02 | C08 | C09 | H091 | 1.2° | 0.0° |
| C02 | C08 | C14 | H141 | 1.6° | 0.5° |
| C08 | C02 | N03 | H031 | 110.3° | 25.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 1.3° | 0.0° |
| C09 | C08 | C14 | C12 | 1.2° | 0.7° |
| C08 | C09 | C10 | H101 | 178.7° | 179.7° |
| C09 | C08 | C02 | H021 | 103.7° | 20.0° |
| C09 | C08 | C14 | H141 | 178.8° | 180.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.5° | 0.3° |
| C10 | C09 | C08 | C14 | 1.6° | 0.5° |
| C09 | C10 | C11 | H111 | 179.5° | 179.7° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | CL13 | 179.7° | 180.0° |
| C10 | C11 | C12 | C14 | 0.0° | 0.0° |
| C11 | C10 | C09 | H091 | 178.7° | 180.0° |
| C11 | C12 | CL13 | C14 | 179.8° | 180.0° |
| C11 | C12 | C14 | C08 | 0.4° | 0.5° |
| C12 | C11 | C10 | H101 | 179.5° | 179.9° |
| C11 | C12 | C14 | H141 | 179.6° | 179.8° |
| CL13 | C12 | C14 | C08 | 179.3° | 179.5° |
| CL13 | C12 | C11 | H111 | 0.3° | 0.0° |
| CL13 | C12 | C14 | H141 | 0.7° | 0.2° |
| C12 | C14 | C08 | H141 | 180.0° | 179.3° |
| C14 | C12 | C11 | H111 | 180.0° | 179.9° |
| C14 | C08 | C02 | H021 | 73.4° | 159.5° |
| C14 | C08 | C09 | H091 | 178.4° | 179.5° |
| H101 | C10 | C09 | H091 | 1.3° | 0.3° |
| H101 | C10 | C11 | H111 | 0.5° | 0.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 64.6° | 60.0° |
| H011 | C01 | C02 | H021 | 175.5° | 60.0° |
| H013 | C01 | C02 | H021 | 55.4° | NaN° |
| H021 | C02 | N03 | H031 | 5.8° | 145.1° |
| H1 | C06 | H062 | H061 | 120.0° | 120.0° |
