BT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.58Å | |
| C04 | C03 | sing | 1.53Å | 1.58Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| N10 | N06 | sing | 1.40Å | 1.39Å | Aromatic |
| N10 | C09 | doub | 1.31Å | 1.39Å | Aromatic |
| C03 | N06 | sing | 1.47Å | 1.55Å | |
| N06 | C07 | sing | 1.35Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.45Å | Aromatic |
| C07 | C08 | doub | 1.35Å | 1.40Å | Aromatic |
| C08 | C11 | sing | 1.51Å | 1.53Å | |
| O12 | C11 | sing | 1.43Å | 1.40Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | F14 | sing | 1.40Å | 1.38Å | |
| C13 | F15 | sing | 1.40Å | 1.40Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| O12 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 114.9° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C02 | C01 | H4 | 109.4° | 109.5° |
| C01 | C02 | H5 | 108.1° | 109.5° |
| C01 | C02 | H6 | 108.1° | 109.5° |
| C02 | C03 | C04 | 114.6° | 109.5° |
| C02 | C03 | N06 | 110.8° | 109.4° |
| C03 | C02 | H5 | 108.1° | 109.4° |
| C03 | C02 | H6 | 108.1° | 109.5° |
| C02 | C03 | H7 | 105.9° | 109.5° |
| C03 | C04 | C05 | 113.8° | 109.4° |
| C04 | C03 | N06 | 112.8° | 109.5° |
| C04 | C03 | H7 | 105.9° | 109.5° |
| C03 | C04 | H8 | 108.4° | 109.5° |
| C03 | C04 | H9 | 108.4° | 109.5° |
| C05 | C04 | H8 | 108.4° | 109.5° |
| C05 | C04 | H9 | 108.4° | 109.4° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| C04 | C05 | H11 | 109.5° | 109.5° |
| C04 | C05 | H12 | 109.5° | 109.5° |
| N06 | N10 | C09 | 106.6° | 108.2° |
| N10 | N06 | C03 | 125.9° | 126.0° |
| N10 | N06 | C07 | 109.5° | 107.9° |
| N10 | C09 | C08 | 109.6° | 108.2° |
| N10 | C09 | H14 | 125.2° | 125.9° |
| C03 | N06 | C07 | 124.6° | 126.0° |
| N06 | C03 | H7 | 106.2° | 109.5° |
| N06 | C07 | C08 | 109.4° | 107.7° |
| N06 | C07 | H13 | 125.3° | 126.1° |
| C09 | C08 | C07 | 104.9° | 107.9° |
| C09 | C08 | C11 | 127.9° | 126.1° |
| C08 | C09 | H14 | 125.2° | 125.9° |
| C07 | C08 | C11 | 127.0° | 126.0° |
| C08 | C07 | H13 | 125.3° | 126.1° |
| C08 | C11 | O12 | 106.9° | 109.5° |
| C08 | C11 | C13 | 106.6° | 109.5° |
| C08 | C11 | H1 | 110.7° | 109.5° |
| O12 | C11 | C13 | 109.0° | 109.5° |
| O12 | C11 | H1 | 112.8° | 109.4° |
| C11 | O12 | H16 | 109.5° | 114.0° |
| C11 | C13 | F14 | 112.5° | 109.5° |
| C11 | C13 | F15 | 111.8° | 109.5° |
| C13 | C11 | H1 | 110.7° | 109.5° |
| C11 | C13 | H15 | 109.7° | 109.5° |
| F14 | C13 | F15 | 98.9° | 109.4° |
| F14 | C13 | H15 | 112.0° | 109.4° |
| F15 | C13 | H15 | 111.7° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H5 | C02 | H6 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.4° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H10 | C05 | H12 | 109.4° | 109.4° |
| H11 | C05 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H5 | 120.8° | 120.0° |
| C01 | C02 | C03 | H6 | 120.8° | 120.0° |
| C01 | C02 | C03 | C04 | 127.9° | 174.5° |
| C01 | C02 | C03 | N06 | 1.1° | 65.6° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.1° |
| C01 | C02 | H5 | H6 | 117.5° | 120.1° |
| C01 | C02 | C03 | H7 | 115.8° | 54.5° |
| C02 | C03 | C04 | N06 | 128.1° | 120.0° |
| C02 | C03 | C04 | H7 | 116.3° | 120.0° |
| C02 | C03 | C04 | C05 | 179.9° | 175.1° |
| C02 | C03 | N06 | N10 | 94.5° | 95.0° |
| C02 | C03 | N06 | H7 | 114.5° | 120.0° |
| C02 | C03 | N06 | C07 | 87.2° | 85.1° |
| C03 | C02 | C01 | H2 | 180.0° | 178.4° |
| C03 | C02 | C01 | H3 | 60.0° | 58.3° |
| C03 | C02 | C01 | H4 | 60.0° | 61.7° |
| C03 | C02 | H5 | H6 | 117.5° | 119.9° |
| C02 | C03 | C04 | H8 | 59.2° | 55.1° |
| C02 | C03 | C04 | H9 | 59.5° | 65.0° |
| C03 | C04 | C05 | H8 | 120.7° | 120.0° |
| C03 | C04 | C05 | H9 | 120.6° | 119.9° |
| C04 | C03 | N06 | N10 | 35.4° | 145.0° |
| C04 | C03 | N06 | H7 | 115.5° | 120.0° |
| C04 | C03 | N06 | C07 | 142.8° | 34.9° |
| C04 | C03 | C02 | H5 | 111.3° | 54.5° |
| C04 | C03 | C02 | H6 | 7.1° | 65.5° |
| C03 | C04 | H8 | H9 | 118.0° | 120.0° |
| C03 | C04 | C05 | H10 | 180.0° | 66.4° |
| C03 | C04 | C05 | H11 | 60.0° | 53.7° |
| C03 | C04 | C05 | H12 | 60.0° | 173.7° |
| C05 | C04 | C03 | N06 | 52.1° | 64.9° |
| C05 | C04 | C03 | H7 | 63.6° | 55.1° |
| C05 | C04 | H8 | H9 | 118.0° | 120.0° |
| C04 | C05 | H10 | H11 | 120.0° | 120.0° |
| C04 | C05 | H10 | H12 | 120.0° | 120.0° |
| C04 | C05 | H11 | H12 | 120.0° | 120.0° |
| N10 | N06 | C03 | C07 | 178.3° | 179.9° |
| N06 | N10 | C09 | C08 | 0.4° | 0.0° |
| N10 | N06 | C07 | C08 | 0.8° | 0.1° |
| N10 | N06 | C03 | H7 | 151.0° | 25.0° |
| N10 | N06 | C07 | H13 | 179.3° | 180.0° |
| N06 | N10 | C09 | H14 | 179.6° | 179.9° |
| C09 | N10 | N06 | C03 | 178.3° | 180.0° |
| C09 | N10 | N06 | C07 | 0.2° | 0.1° |
| N10 | C09 | C08 | H14 | 180.0° | 180.0° |
| N10 | C09 | C08 | C07 | 0.9° | 0.0° |
| N10 | C09 | C08 | C11 | 175.9° | 179.9° |
| C03 | N06 | C07 | C08 | 177.7° | 180.0° |
| N06 | C03 | C02 | H5 | 119.7° | 174.4° |
| N06 | C03 | C02 | H6 | 121.9° | 54.5° |
| N06 | C03 | C04 | H8 | 172.7° | 175.1° |
| N06 | C03 | C04 | H9 | 68.6° | 55.0° |
| C03 | N06 | C07 | H13 | 2.2° | 0.1° |
| N06 | C07 | C08 | C09 | 1.0° | 0.1° |
| N06 | C07 | C08 | H13 | 180.0° | 179.9° |
| N06 | C07 | C08 | C11 | 176.1° | 180.0° |
| C07 | N06 | C03 | H7 | 27.3° | 154.9° |
| C09 | C08 | C07 | C11 | 175.1° | 179.9° |
| C09 | C08 | C11 | O12 | 80.8° | 40.0° |
| C09 | C08 | C11 | C13 | 35.6° | 80.1° |
| C09 | C08 | C11 | H1 | 156.0° | 159.9° |
| C09 | C08 | C07 | H13 | 179.0° | 180.0° |
| C07 | C08 | C11 | O12 | 93.2° | 140.0° |
| C07 | C08 | C11 | C13 | 150.4° | 100.0° |
| C07 | C08 | C11 | H1 | 30.0° | 20.0° |
| C07 | C08 | C09 | H14 | 179.1° | 180.0° |
| C08 | C11 | O12 | C13 | 114.8° | 120.0° |
| C08 | C11 | O12 | H1 | 121.9° | 120.0° |
| C08 | C11 | C13 | H1 | 120.5° | 120.0° |
| C08 | C11 | C13 | F14 | 70.6° | 175.0° |
| C08 | C11 | C13 | F15 | 179.2° | 55.0° |
| C11 | C08 | C07 | H13 | 3.9° | 0.1° |
| C11 | C08 | C09 | H14 | 4.1° | 0.1° |
| C08 | C11 | C13 | H15 | 54.8° | 65.0° |
| C08 | C11 | O12 | H16 | 180.0° | 60.0° |
| O12 | C11 | C13 | H1 | 124.5° | 120.0° |
| O12 | C11 | C13 | F14 | 174.4° | 65.0° |
| O12 | C11 | C13 | F15 | 64.2° | 175.0° |
| O12 | C11 | C13 | H15 | 60.2° | 55.0° |
| C11 | C13 | F14 | F15 | 118.1° | 120.0° |
| C11 | C13 | F14 | H15 | 124.1° | 120.0° |
| C11 | C13 | F15 | H15 | 123.3° | 120.0° |
| C13 | C11 | O12 | H16 | 65.2° | 60.0° |
| F14 | C13 | F15 | H15 | 118.0° | 120.0° |
| F14 | C13 | C11 | H1 | 49.9° | 55.0° |
| F15 | C13 | C11 | H1 | 60.3° | 65.0° |
| H1 | C11 | C13 | H15 | 175.3° | 174.9° |
| H1 | C11 | O12 | H16 | 58.1° | 180.0° |
| H2 | C01 | H3 | H4 | 120.0° | 119.9° |
| H2 | C01 | C02 | H5 | 59.2° | 58.4° |
| H2 | C01 | C02 | H6 | 59.2° | 61.6° |
| H3 | C01 | C02 | H5 | 60.8° | 61.6° |
| H3 | C01 | C02 | H6 | 179.2° | 178.3° |
| H4 | C01 | C02 | H5 | 179.2° | 178.4° |
| H4 | C01 | C02 | H6 | 60.8° | 58.3° |
| H5 | C02 | C03 | H7 | 5.0° | 65.5° |
| H6 | C02 | C03 | H7 | 123.4° | 174.5° |
| H7 | C03 | C04 | H8 | 57.1° | 64.9° |
| H7 | C03 | C04 | H9 | 175.8° | 175.0° |
| H8 | C04 | C05 | H10 | 59.3° | 173.6° |
| H8 | C04 | C05 | H11 | 179.3° | 66.3° |
| H8 | C04 | C05 | H12 | 60.7° | 53.7° |
| H9 | C04 | C05 | H10 | 59.4° | 53.6° |
| H9 | C04 | C05 | H11 | 60.7° | 173.6° |
| H9 | C04 | C05 | H12 | 179.3° | 66.4° |
| H10 | C05 | H11 | H12 | 120.0° | 119.9° |
