7TC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C7 | doub | 1.21Å | 1.20Å | |
| C13 | C1 | doub | 1.33Å | 1.33Å | |
| C7 | O2 | sing | 1.35Å | 1.31Å | |
| C7 | C4 | sing | 1.49Å | 1.44Å | |
| C1 | C4 | sing | 1.47Å | 1.45Å | |
| C1 | C11 | sing | 1.52Å | 1.49Å | |
| C4 | N | doub | 1.29Å | 1.24Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C11 | C3 | sing | 1.54Å | 1.55Å | |
| N | C3 | sing | 1.46Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C | sing | 1.51Å | 1.55Å | |
| C2 | C5 | sing | 1.53Å | 1.54Å | |
| O1 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.48Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C7 | O2 | 119.6° | 120.0° |
| O3 | C7 | C4 | 122.8° | 120.0° |
| C13 | C1 | C4 | 125.4° | 126.9° |
| C13 | C1 | C11 | 125.8° | 126.8° |
| C1 | C13 | H8 | 120.0° | 119.9° |
| C1 | C13 | H9 | 120.0° | 120.0° |
| O2 | C7 | C4 | 117.6° | 120.0° |
| C7 | O2 | H18 | 109.5° | 117.0° |
| C7 | C4 | C1 | 129.0° | 123.8° |
| C7 | C4 | N | 120.6° | 123.9° |
| C4 | C1 | C11 | 108.8° | 106.3° |
| C1 | C4 | N | 110.2° | 112.3° |
| C1 | C11 | C12 | 111.1° | 110.8° |
| C1 | C11 | C3 | 100.4° | 103.4° |
| C1 | C11 | H1 | 109.6° | 110.7° |
| C4 | N | C3 | 113.8° | 112.1° |
| C12 | C11 | C3 | 117.8° | 110.6° |
| C12 | C11 | H1 | 108.8° | 110.6° |
| C11 | C12 | H2 | 109.5° | 109.5° |
| C11 | C12 | H3 | 109.4° | 109.4° |
| C11 | C12 | H4 | 109.5° | 109.5° |
| O | C | C2 | 121.3° | 120.0° |
| O | C | H7 | 119.3° | 120.0° |
| C11 | C3 | N | 104.2° | 106.0° |
| C11 | C3 | C2 | 113.5° | 110.2° |
| C3 | C11 | H1 | 108.7° | 110.7° |
| C11 | C3 | H11 | 110.9° | 110.1° |
| N | C3 | C2 | 104.5° | 110.2° |
| N | C3 | H11 | 112.1° | 110.1° |
| C3 | C2 | C | 113.7° | 109.5° |
| C3 | C2 | C5 | 106.5° | 109.5° |
| C3 | C2 | H10 | 107.0° | 109.5° |
| C2 | C3 | H11 | 111.2° | 110.2° |
| C | C2 | C5 | 115.4° | 109.5° |
| C2 | C | H7 | 119.4° | 120.0° |
| C | C2 | H10 | 106.8° | 109.5° |
| C2 | C5 | O1 | 112.1° | 109.5° |
| C2 | C5 | C6 | 114.6° | 109.5° |
| C5 | C2 | H10 | 106.9° | 109.4° |
| C2 | C5 | H13 | 109.0° | 109.5° |
| O1 | C5 | C6 | 100.6° | 109.4° |
| O1 | C5 | H13 | 110.5° | 109.4° |
| C5 | O1 | H17 | 109.5° | 114.0° |
| C6 | C5 | H13 | 109.7° | 109.5° |
| C5 | C6 | H14 | 109.5° | 109.5° |
| C5 | C6 | H15 | 109.5° | 109.4° |
| C5 | C6 | H16 | 109.5° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H2 | C12 | H4 | 109.5° | 109.4° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H8 | C13 | H9 | 120.0° | 120.0° |
| H14 | C6 | H15 | 109.4° | 109.5° |
| H14 | C6 | H16 | 109.5° | 109.5° |
| H15 | C6 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C7 | O2 | C4 | 180.0° | 179.9° |
| O3 | C7 | C4 | C1 | 44.1° | 0.0° |
| O3 | C7 | C4 | N | 140.6° | 179.9° |
| O3 | C7 | O2 | H18 | 0.0° | 0.1° |
| C13 | C1 | C4 | C7 | 20.8° | 0.0° |
| C13 | C1 | C4 | C11 | 177.5° | 180.0° |
| C13 | C1 | C4 | N | 163.5° | 180.0° |
| C13 | C1 | C11 | C12 | 36.4° | 61.5° |
| C13 | C1 | C11 | C3 | 161.8° | 180.0° |
| C13 | C1 | C11 | H1 | 83.8° | 61.6° |
| C1 | C13 | H8 | H9 | 180.0° | 180.0° |
| O2 | C7 | C4 | C1 | 136.0° | 180.0° |
| O2 | C7 | C4 | N | 39.3° | 0.1° |
| C7 | C4 | C1 | N | 175.7° | 179.9° |
| C7 | C4 | C1 | C11 | 161.7° | 179.9° |
| C7 | C4 | N | C3 | 171.0° | 179.9° |
| C4 | C7 | O2 | H18 | 179.9° | 180.0° |
| C4 | C1 | C11 | C12 | 141.1° | 118.5° |
| C4 | C1 | C11 | C3 | 15.7° | 0.0° |
| C1 | C4 | N | C3 | 5.1° | 0.0° |
| C4 | C1 | C11 | H1 | 98.7° | 118.5° |
| C4 | C1 | C13 | H8 | 177.2° | 0.0° |
| C4 | C1 | C13 | H9 | 2.9° | 179.9° |
| C11 | C1 | C4 | N | 14.0° | 0.0° |
| C1 | C11 | C12 | C3 | 115.0° | 114.0° |
| C1 | C11 | C12 | H1 | 120.7° | 123.1° |
| C1 | C11 | C3 | H1 | 115.0° | 118.5° |
| C1 | C11 | C3 | N | 12.4° | 0.0° |
| C1 | C11 | C3 | C2 | 100.7° | 119.2° |
| C1 | C11 | C12 | H2 | 180.0° | 46.6° |
| C1 | C11 | C12 | H3 | 60.0° | 73.4° |
| C1 | C11 | C12 | H4 | 60.0° | 166.6° |
| C11 | C1 | C13 | H8 | 0.0° | 180.0° |
| C11 | C1 | C13 | H9 | 180.0° | 0.0° |
| C1 | C11 | C3 | H11 | 133.2° | 119.1° |
| C4 | N | C3 | C11 | 5.2° | 0.0° |
| C4 | N | C3 | C2 | 114.2° | 119.2° |
| C4 | N | C3 | H11 | 125.2° | 119.1° |
| C12 | C11 | C3 | H1 | 124.3° | 122.8° |
| C12 | C11 | C3 | N | 133.1° | 118.7° |
| C12 | C11 | C3 | C2 | 20.0° | 0.5° |
| C11 | C12 | H2 | H3 | 120.0° | 120.0° |
| C11 | C12 | H2 | H4 | 120.0° | 120.1° |
| C11 | C12 | H3 | H4 | 120.0° | 120.0° |
| C12 | C11 | C3 | H11 | 106.1° | 122.3° |
| O | C | C2 | C3 | 90.1° | 126.9° |
| O | C | C2 | H7 | 180.0° | 180.0° |
| O | C | C2 | C5 | 146.4° | 113.2° |
| O | C | C2 | H10 | 27.8° | 6.8° |
| C11 | C3 | N | C2 | 119.4° | 119.2° |
| C11 | C3 | N | H11 | 120.0° | 119.1° |
| C11 | C3 | C2 | H11 | 125.9° | 121.7° |
| C11 | C3 | C2 | C | 145.3° | 66.5° |
| C11 | C3 | C2 | C5 | 86.5° | 173.5° |
| C3 | C11 | C12 | H2 | 65.0° | 67.4° |
| C3 | C11 | C12 | H3 | 55.0° | 172.6° |
| C3 | C11 | C12 | H4 | 175.0° | 52.6° |
| C11 | C3 | C2 | H10 | 27.5° | 53.5° |
| N | C3 | C2 | H11 | 121.1° | 121.7° |
| N | C3 | C2 | C | 32.3° | 50.1° |
| N | C3 | C2 | C5 | 160.5° | 69.9° |
| N | C3 | C11 | H1 | 102.6° | 118.5° |
| N | C3 | C2 | H10 | 85.4° | 170.1° |
| C3 | C2 | C | C5 | 123.5° | 120.0° |
| C3 | C2 | C | H10 | 117.9° | 120.0° |
| C3 | C2 | C5 | H10 | 114.2° | 120.0° |
| C3 | C2 | C5 | O1 | 150.2° | 60.0° |
| C3 | C2 | C5 | C6 | 95.8° | 60.0° |
| C2 | C3 | C11 | H1 | 144.3° | 122.3° |
| C3 | C2 | C | H7 | 89.9° | 53.2° |
| C3 | C2 | C5 | H13 | 27.6° | 180.0° |
| C | C2 | C5 | H10 | 118.6° | 120.0° |
| C | C2 | C5 | O1 | 82.6° | 60.0° |
| C | C2 | C5 | C6 | 31.4° | 180.0° |
| C | C2 | C3 | H11 | 88.8° | 171.7° |
| C | C2 | C5 | H13 | 154.8° | 60.0° |
| C2 | C5 | O1 | C6 | 122.3° | 120.0° |
| C2 | C5 | O1 | H13 | 121.8° | 120.0° |
| C2 | C5 | C6 | H13 | 123.0° | 120.0° |
| C5 | C2 | C | H7 | 33.5° | 66.8° |
| C5 | C2 | C3 | H11 | 39.4° | 51.8° |
| C2 | C5 | C6 | H14 | 180.0° | 180.0° |
| C2 | C5 | C6 | H15 | 60.0° | 60.0° |
| C2 | C5 | C6 | H16 | 60.0° | 60.0° |
| C2 | C5 | O1 | H17 | 180.0° | 180.0° |
| O1 | C5 | C6 | H13 | 116.5° | 119.9° |
| O1 | C5 | C2 | H10 | 36.1° | 180.0° |
| O1 | C5 | C6 | H14 | 59.5° | 60.0° |
| O1 | C5 | C6 | H15 | 179.5° | 180.0° |
| O1 | C5 | C6 | H16 | 60.5° | 60.1° |
| C6 | C5 | C2 | H10 | 150.0° | 60.0° |
| C5 | C6 | H14 | H15 | 120.0° | 120.0° |
| C5 | C6 | H14 | H16 | 120.0° | 120.0° |
| C5 | C6 | H15 | H16 | 120.0° | 120.0° |
| C6 | C5 | O1 | H17 | 57.7° | 60.0° |
| H1 | C11 | C12 | H2 | 59.3° | 169.7° |
| H1 | C11 | C12 | H3 | 179.3° | 49.7° |
| H1 | C11 | C12 | H4 | 60.7° | 70.3° |
| H1 | C11 | C3 | H11 | 18.2° | 0.6° |
| H2 | C12 | H3 | H4 | 120.0° | 120.0° |
| H7 | C | C2 | H10 | 152.2° | 173.2° |
| H10 | C2 | C3 | H11 | 153.5° | 68.2° |
| H10 | C2 | C5 | H13 | 86.6° | 60.0° |
| H13 | C5 | C6 | H14 | 57.0° | 60.0° |
| H13 | C5 | C6 | H15 | 63.0° | 60.0° |
| H13 | C5 | C6 | H16 | 177.0° | 180.0° |
| H13 | C5 | O1 | H17 | 58.2° | 60.0° |
| H14 | C6 | H15 | H16 | 120.0° | 120.0° |
