T11
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F17 | C14 | sing | 1.40Å | 1.32Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | F15 | sing | 1.40Å | 1.29Å | |
| C14 | F16 | sing | 1.40Å | 1.31Å | |
| C13 | N19 | sing | 1.47Å | 1.45Å | |
| C13 | N18 | sing | 1.47Å | 1.45Å | |
| C13 | C1 | sing | 1.51Å | 1.49Å | |
| N19 | N18 | sing | 1.45Å | 1.25Å | |
| N19 | HN19 | sing | 1.01Å | 1.00Å | |
| N18 | HN18 | sing | 1.01Å | 1.00Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | CA | sing | 1.53Å | 1.50Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.28Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F17 | C14 | C13 | 116.1° | 109.5° |
| F17 | C14 | F15 | 107.5° | 109.5° |
| F17 | C14 | F16 | 110.8° | 109.4° |
| C13 | C14 | F15 | 104.8° | 109.5° |
| C13 | C14 | F16 | 111.1° | 109.5° |
| C14 | C13 | N19 | 119.4° | 117.5° |
| C14 | C13 | N18 | 117.8° | 117.6° |
| C14 | C13 | C1 | 116.6° | 115.6° |
| F15 | C14 | F16 | 105.8° | 109.5° |
| N19 | C13 | N18 | 51.2° | 59.3° |
| N19 | C13 | C1 | 123.7° | 117.6° |
| C13 | N19 | N18 | 64.3° | 60.4° |
| C13 | N19 | HN19 | 128.5° | 111.0° |
| N18 | C13 | C1 | 105.7° | 117.7° |
| C13 | N18 | N19 | 64.5° | 60.3° |
| C13 | N18 | HN18 | 128.4° | 111.0° |
| C13 | C1 | C6 | 122.1° | 120.0° |
| C13 | C1 | C2 | 116.8° | 120.0° |
| N18 | N19 | HN19 | 128.5° | 111.0° |
| N19 | N18 | HN18 | 128.4° | 111.0° |
| C6 | C1 | C2 | 121.2° | 120.0° |
| C1 | C6 | C5 | 118.3° | 120.0° |
| C1 | C6 | H6 | 120.9° | 120.0° |
| C1 | C2 | C3 | 120.7° | 120.0° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C5 | C6 | H6 | 120.8° | 120.0° |
| C6 | C5 | C4 | 119.8° | 120.0° |
| C6 | C5 | H5 | 120.0° | 119.9° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C5 | C4 | C3 | 120.8° | 120.0° |
| C5 | C4 | C7 | 119.8° | 120.0° |
| C3 | C4 | C7 | 119.3° | 120.0° |
| C4 | C3 | C2 | 119.1° | 120.0° |
| C4 | C3 | H3 | 120.5° | 120.0° |
| C4 | C7 | CA | 112.0° | 109.4° |
| C4 | C7 | H71 | 108.6° | 109.5° |
| C4 | C7 | H72 | 108.0° | 109.5° |
| C2 | C3 | H3 | 120.5° | 120.1° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| CA | C7 | H71 | 108.6° | 109.5° |
| CA | C7 | H72 | 108.1° | 109.5° |
| C7 | CA | N | 113.6° | 109.5° |
| C7 | CA | C | 106.1° | 109.5° |
| C7 | CA | HA | 108.6° | 109.5° |
| H71 | C7 | H72 | 111.5° | 109.5° |
| N | CA | C | 108.3° | 109.5° |
| N | CA | HA | 106.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| C | CA | HA | 113.9° | 109.4° |
| CA | C | O | 117.3° | 120.0° |
| CA | C | OXT | 117.1° | 120.0° |
| H | N | HN2 | 109.5° | 111.0° |
| O | C | OXT | 125.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F17 | C14 | C13 | F15 | 118.4° | 120.0° |
| F17 | C14 | C13 | F16 | 127.8° | 120.0° |
| F17 | C14 | F15 | F16 | 118.4° | 120.0° |
| F17 | C14 | C13 | N19 | 19.7° | 34.4° |
| F17 | C14 | C13 | N18 | 39.3° | 33.4° |
| F17 | C14 | C13 | C1 | 166.6° | 179.6° |
| C13 | C14 | F15 | F16 | 117.6° | 120.0° |
| C14 | C13 | N19 | N18 | 103.5° | 107.3° |
| C14 | C13 | N19 | C1 | 173.3° | 145.3° |
| C14 | C13 | N18 | C1 | 132.4° | 145.5° |
| C14 | C13 | N19 | HN19 | 16.5° | 149.8° |
| C14 | C13 | N18 | HN18 | 133.2° | 4.4° |
| C14 | C13 | C1 | C6 | 114.6° | 64.5° |
| C14 | C13 | C1 | C2 | 66.4° | 115.8° |
| F15 | C14 | C13 | N19 | 98.7° | 85.6° |
| F15 | C14 | C13 | N18 | 157.7° | 153.4° |
| F15 | C14 | C13 | C1 | 75.0° | 60.4° |
| F16 | C14 | C13 | N19 | 147.4° | 154.4° |
| F16 | C14 | C13 | N18 | 88.5° | 86.5° |
| F16 | C14 | C13 | C1 | 38.9° | 59.7° |
| N19 | C13 | N18 | C1 | 120.9° | 107.3° |
| C13 | N19 | N18 | HN19 | 120.0° | 102.9° |
| N19 | C13 | N18 | HN18 | 120.0° | 102.9° |
| N19 | C13 | C1 | C6 | 72.0° | 149.6° |
| N19 | C13 | C1 | C2 | 107.0° | 30.1° |
| N18 | C13 | C1 | C6 | 18.5° | 81.7° |
| N18 | C13 | C1 | C2 | 160.5° | 98.0° |
| C1 | C13 | N19 | HN19 | 156.8° | 4.5° |
| C1 | C13 | N18 | HN18 | 0.9° | 149.8° |
| C13 | C1 | C6 | C2 | 179.0° | 179.7° |
| C13 | C1 | C6 | C5 | 178.6° | 180.0° |
| C13 | C1 | C6 | H6 | 1.4° | 0.1° |
| C13 | C1 | C2 | C3 | 179.4° | 179.8° |
| C13 | C1 | C2 | H2 | 0.6° | 0.0° |
| HN19 | N19 | N18 | HN18 | 120.0° | 154.3° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 2.4° | 0.1° |
| C1 | C6 | C5 | H5 | 177.6° | 179.9° |
| C6 | C1 | C2 | C3 | 1.6° | 0.5° |
| C6 | C1 | C2 | H2 | 178.4° | 179.7° |
| C2 | C1 | C6 | C5 | 2.5° | 0.3° |
| C2 | C1 | C6 | H6 | 177.5° | 179.8° |
| C1 | C2 | C3 | C4 | 0.6° | 0.5° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | H3 | 179.4° | 179.7° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.5° | 0.1° |
| C6 | C5 | C4 | C7 | 178.9° | 180.0° |
| H6 | C6 | C5 | C4 | 177.6° | 180.0° |
| H6 | C6 | C5 | H5 | 2.4° | 0.1° |
| C5 | C4 | C3 | C7 | 179.6° | 179.9° |
| C5 | C4 | C3 | C2 | 0.5° | 0.2° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C5 | C4 | C7 | CA | 138.5° | 90.0° |
| C5 | C4 | C7 | H71 | 101.5° | 150.0° |
| C5 | C4 | C7 | H72 | 19.6° | 30.0° |
| H5 | C5 | C4 | C3 | 178.5° | 180.0° |
| H5 | C5 | C4 | C7 | 1.1° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 179.8° |
| C4 | C3 | C2 | H2 | 179.4° | 179.7° |
| C3 | C4 | C7 | CA | 41.8° | 90.1° |
| C3 | C4 | C7 | H71 | 78.2° | 29.9° |
| C3 | C4 | C7 | H72 | 160.8° | 149.9° |
| C7 | C4 | C3 | C2 | 179.8° | 179.9° |
| C7 | C4 | C3 | H3 | 0.2° | 0.1° |
| C4 | C7 | CA | H71 | 120.0° | 120.0° |
| C4 | C7 | CA | H72 | 118.9° | 120.0° |
| C4 | C7 | H71 | H72 | 118.9° | 120.0° |
| C4 | C7 | CA | N | 69.0° | 65.0° |
| C4 | C7 | CA | C | 172.1° | 175.0° |
| C4 | C7 | CA | HA | 49.2° | 55.0° |
| H3 | C3 | C2 | H2 | 0.6° | 0.1° |
| CA | C7 | H71 | H72 | 119.0° | 120.0° |
| C7 | CA | N | C | 117.6° | 120.0° |
| C7 | CA | N | HA | 119.5° | 120.0° |
| C7 | CA | C | HA | 119.4° | 120.0° |
| C7 | CA | N | H | 115.6° | 176.1° |
| C7 | CA | N | HN2 | 4.5° | 60.0° |
| C7 | CA | C | O | 155.0° | 100.0° |
| C7 | CA | C | OXT | 23.0° | 80.0° |
| H71 | C7 | CA | N | 171.0° | 175.0° |
| H71 | C7 | CA | C | 52.1° | 55.0° |
| H71 | C7 | CA | HA | 70.8° | 64.9° |
| H72 | C7 | CA | N | 49.9° | 55.0° |
| H72 | C7 | CA | C | 69.0° | 65.0° |
| H72 | C7 | CA | HA | 168.2° | 175.1° |
| N | CA | C | HA | 118.2° | 120.0° |
| CA | N | H | HN2 | 120.0° | 123.9° |
| N | CA | C | O | 32.6° | 20.0° |
| N | CA | C | OXT | 145.3° | 160.0° |
| C | CA | N | H | 2.0° | 63.9° |
| C | CA | N | HN2 | 122.1° | 60.0° |
| CA | C | O | OXT | 177.8° | 179.9° |
| CA | C | OXT | HXT | 177.8° | 180.0° |
| HA | CA | N | H | 124.9° | 56.1° |
| HA | CA | N | HN2 | 115.0° | 180.0° |
| HA | CA | C | O | 85.6° | 140.0° |
| HA | CA | C | OXT | 96.4° | 40.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
