0M5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C | C14 | sing | 1.53Å | 1.55Å | |
| C12 | N | sing | 1.48Å | 1.49Å | |
| C12 | C11 | sing | 1.55Å | 1.57Å | |
| N | C14 | sing | 1.47Å | 1.47Å | |
| N | C13 | sing | 1.48Å | 1.47Å | |
| C13 | C10 | sing | 1.54Å | 1.55Å | |
| C11 | C10 | sing | 1.55Å | 1.54Å | |
| C10 | C09 | sing | 1.53Å | 1.56Å | |
| C09 | N02 | sing | 1.46Å | 1.49Å | |
| N02 | C08 | sing | 1.35Å | 1.41Å | |
| C08 | O | doub | 1.21Å | 1.24Å | |
| C08 | C07 | sing | 1.49Å | 1.60Å | |
| O01 | C07 | doub | 1.21Å | 1.23Å | |
| C07 | N01 | sing | 1.35Å | 1.44Å | |
| N01 | C05 | sing | 1.40Å | 1.49Å | |
| C05 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.43Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.42Å | Aromatic |
| F | C01 | sing | 1.35Å | 1.34Å | |
| C01 | C02 | doub | 1.39Å | 1.41Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.43Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | CL | sing | 1.74Å | 1.77Å | |
| C03 | H01 | sing | 1.08Å | 1.08Å | |
| C04 | H02 | sing | 1.08Å | 1.08Å | |
| C06 | H03 | sing | 1.08Å | 1.08Å | |
| C10 | H08 | sing | 1.09Å | 1.10Å | |
| C11 | H09 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| N01 | H04 | sing | 0.97Å | 1.00Å | |
| N02 | H05 | sing | 0.97Å | 1.00Å | |
| C09 | H06 | sing | 1.09Å | 1.10Å | |
| C09 | H07 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C15 | C14 | 60.4° | 60.0° |
| C15 | C | C14 | 60.5° | 60.0° |
| C | C15 | H17 | 119.9° | 117.5° |
| C | C15 | H16 | 119.9° | 117.5° |
| C15 | C | H | 119.9° | 117.5° |
| C15 | C | H18 | 119.9° | 117.5° |
| C15 | C14 | C | 59.1° | 60.0° |
| C15 | C14 | N | 116.3° | 117.5° |
| C14 | C15 | H17 | 119.9° | 117.5° |
| C14 | C15 | H16 | 119.9° | 117.5° |
| C15 | C14 | H15 | 116.3° | 117.5° |
| C | C14 | N | 117.6° | 117.5° |
| C | C14 | H15 | 116.4° | 117.5° |
| C14 | C | H | 119.9° | 117.5° |
| C14 | C | H18 | 119.9° | 117.5° |
| N | C12 | C11 | 106.1° | 103.2° |
| C12 | N | C14 | 121.3° | 111.0° |
| C12 | N | C13 | 106.1° | 105.9° |
| N | C12 | H11 | 110.3° | 110.7° |
| N | C12 | H12 | 110.3° | 110.7° |
| C12 | C11 | C10 | 106.0° | 102.9° |
| C12 | C11 | H09 | 110.3° | 110.7° |
| C12 | C11 | H10 | 110.4° | 110.8° |
| C11 | C12 | H11 | 110.3° | 110.7° |
| C11 | C12 | H12 | 110.3° | 110.6° |
| C14 | N | C13 | 120.7° | 110.9° |
| N | C14 | H15 | 117.9° | 115.5° |
| N | C13 | C10 | 105.8° | 106.9° |
| N | C13 | H13 | 110.4° | 110.0° |
| N | C13 | H14 | 110.4° | 109.9° |
| C13 | C10 | C11 | 102.6° | 105.3° |
| C13 | C10 | C09 | 114.5° | 110.3° |
| C13 | C10 | H08 | 108.1° | 110.3° |
| C10 | C13 | H13 | 110.4° | 109.9° |
| C10 | C13 | H14 | 110.4° | 110.0° |
| C11 | C10 | C09 | 115.3° | 110.3° |
| C11 | C10 | H08 | 108.1° | 110.3° |
| C10 | C11 | H09 | 110.4° | 110.8° |
| C10 | C11 | H10 | 110.3° | 110.8° |
| C10 | C09 | N02 | 109.3° | 109.5° |
| C09 | C10 | H08 | 107.9° | 110.3° |
| C10 | C09 | H06 | 109.5° | 109.5° |
| C10 | C09 | H07 | 109.5° | 109.4° |
| C09 | N02 | C08 | 123.5° | 120.0° |
| C09 | N02 | H05 | 118.3° | 120.0° |
| N02 | C09 | H06 | 109.5° | 109.5° |
| N02 | C09 | H07 | 109.5° | 109.5° |
| N02 | C08 | O | 121.0° | 120.0° |
| N02 | C08 | C07 | 122.6° | 120.0° |
| C08 | N02 | H05 | 118.3° | 120.0° |
| O | C08 | C07 | 116.4° | 120.0° |
| C08 | C07 | O01 | 114.1° | 120.0° |
| C08 | C07 | N01 | 125.5° | 120.0° |
| O01 | C07 | N01 | 120.4° | 120.0° |
| C07 | N01 | C05 | 126.2° | 120.0° |
| C07 | N01 | H04 | 116.9° | 120.0° |
| N01 | C05 | C06 | 124.0° | 120.1° |
| N01 | C05 | C04 | 120.3° | 120.0° |
| C05 | N01 | H04 | 116.9° | 120.0° |
| C06 | C05 | C04 | 115.7° | 119.9° |
| C05 | C06 | C01 | 123.0° | 119.9° |
| C05 | C06 | H03 | 118.5° | 120.0° |
| C05 | C04 | C03 | 121.4° | 120.0° |
| C05 | C04 | H02 | 119.3° | 120.0° |
| C06 | C01 | F | 117.8° | 119.9° |
| C06 | C01 | C02 | 120.1° | 120.0° |
| C01 | C06 | H03 | 118.5° | 120.1° |
| F | C01 | C02 | 122.1° | 120.0° |
| C01 | C02 | C03 | 118.5° | 120.1° |
| C01 | C02 | CL | 122.7° | 119.9° |
| C04 | C03 | C02 | 121.2° | 120.1° |
| C04 | C03 | H01 | 119.4° | 120.0° |
| C03 | C04 | H02 | 119.3° | 120.0° |
| C03 | C02 | CL | 118.8° | 120.0° |
| C02 | C03 | H01 | 119.4° | 119.9° |
| H09 | C11 | H10 | 109.4° | 110.6° |
| H17 | C15 | H16 | 109.5° | 115.6° |
| H06 | C09 | H07 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 110.7° |
| H13 | C13 | H14 | 109.5° | 110.1° |
| H | C | H18 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C15 | C14 | H17 | 109.6° | 107.4° |
| C | C15 | C14 | H16 | 109.5° | 107.4° |
| C15 | C | C14 | H | 109.6° | 107.5° |
| C15 | C | C14 | H18 | 109.6° | 107.5° |
| C15 | C | C14 | N | 105.6° | 107.5° |
| C | C15 | H17 | H16 | 144.5° | 145.6° |
| C | C15 | C14 | H15 | 106.3° | 107.6° |
| C15 | C | H | H18 | 144.5° | 145.7° |
| C15 | C14 | N | C12 | 73.0° | 59.8° |
| C15 | C14 | N | H15 | 145.3° | 145.6° |
| C15 | C14 | N | C13 | 149.5° | 177.2° |
| C14 | C15 | H17 | H16 | 144.5° | 145.8° |
| C | C14 | N | C12 | 140.2° | 128.5° |
| C | C14 | N | H15 | 147.6° | 145.8° |
| C | C14 | N | C13 | 82.4° | 114.1° |
| C14 | C | H | H18 | 144.5° | 145.6° |
| N | C12 | C11 | H11 | 119.5° | 118.4° |
| N | C12 | C11 | H12 | 119.5° | 118.5° |
| C12 | N | C14 | C13 | 137.5° | 117.4° |
| C12 | N | C13 | C10 | 36.7° | 25.4° |
| N | C12 | C11 | C10 | 0.8° | 37.4° |
| N | C12 | C11 | H09 | 120.3° | 155.8° |
| N | C12 | C11 | H10 | 118.6° | 81.1° |
| N | C12 | H11 | H12 | 121.6° | 123.1° |
| C12 | N | C13 | H13 | 156.2° | 144.6° |
| C12 | N | C13 | H14 | 82.6° | 94.0° |
| C12 | N | C14 | H15 | 72.3° | 85.8° |
| C11 | C12 | N | C14 | 119.8° | 159.7° |
| C11 | C12 | N | C13 | 23.0° | 39.2° |
| C12 | C11 | C10 | C13 | 20.2° | 21.9° |
| C12 | C11 | C10 | H09 | 119.5° | 118.4° |
| C12 | C11 | C10 | H10 | 119.5° | 118.5° |
| C12 | C11 | C10 | C09 | 145.4° | 140.9° |
| C12 | C11 | C10 | H08 | 93.8° | 97.1° |
| C12 | C11 | H09 | H10 | 121.6° | 123.3° |
| C11 | C12 | H11 | H12 | 121.6° | 123.1° |
| C14 | N | C13 | C10 | 106.3° | 145.9° |
| N | C14 | C15 | H17 | 1.8° | 145.0° |
| N | C14 | C15 | H16 | 142.6° | 0.1° |
| C14 | N | C12 | H11 | 120.8° | 41.3° |
| C14 | N | C12 | H12 | 0.3° | 81.9° |
| C14 | N | C13 | H13 | 13.1° | 94.8° |
| C14 | N | C13 | H14 | 134.3° | 26.6° |
| N | C14 | C | H | 144.8° | 145.0° |
| N | C14 | C | H18 | 4.0° | 0.0° |
| N | C13 | C10 | H13 | 119.4° | 119.3° |
| N | C13 | C10 | H14 | 119.4° | 119.3° |
| N | C13 | C10 | C11 | 35.1° | 1.3° |
| N | C13 | C10 | C09 | 160.8° | 117.7° |
| N | C13 | C10 | H08 | 78.9° | 120.3° |
| C13 | N | C12 | H11 | 96.4° | 79.2° |
| C13 | N | C12 | H12 | 142.5° | 157.6° |
| N | C13 | H13 | H14 | 121.7° | 121.3° |
| C13 | N | C14 | H15 | 65.2° | 31.7° |
| C13 | C10 | C11 | C09 | 125.1° | 119.0° |
| C13 | C10 | C11 | H08 | 114.0° | 119.0° |
| C13 | C10 | C09 | H08 | 120.3° | 122.1° |
| C13 | C10 | C09 | N02 | 95.0° | 176.4° |
| C13 | C10 | C11 | H09 | 99.2° | 140.3° |
| C13 | C10 | C11 | H10 | 139.7° | 96.6° |
| C13 | C10 | C09 | H06 | 25.0° | 56.3° |
| C13 | C10 | C09 | H07 | 145.1° | 63.6° |
| C10 | C13 | H13 | H14 | 121.7° | 121.3° |
| C11 | C10 | C09 | H08 | 120.9° | 122.1° |
| C11 | C10 | C09 | N02 | 146.3° | 67.8° |
| C10 | C11 | H09 | H10 | 121.6° | 123.2° |
| C11 | C10 | C09 | H06 | 93.7° | 172.2° |
| C11 | C10 | C09 | H07 | 26.3° | 52.2° |
| C10 | C11 | C12 | H11 | 118.6° | 81.0° |
| C10 | C11 | C12 | H12 | 120.3° | 155.9° |
| C11 | C10 | C13 | H13 | 154.6° | 120.6° |
| C11 | C10 | C13 | H14 | 84.3° | 118.0° |
| C10 | C09 | N02 | H06 | 120.0° | 120.0° |
| C10 | C09 | N02 | H07 | 120.0° | 120.0° |
| C10 | C09 | N02 | C08 | 86.7° | 180.0° |
| C09 | C10 | C11 | H09 | 25.9° | 100.8° |
| C09 | C10 | C11 | H10 | 95.1° | 22.4° |
| C10 | C09 | N02 | H05 | 93.2° | 0.0° |
| C10 | C09 | H06 | H07 | 120.1° | 119.9° |
| C09 | C10 | C13 | H13 | 79.8° | 1.6° |
| C09 | C10 | C13 | H14 | 41.4° | 123.0° |
| C09 | N02 | C08 | H05 | 180.0° | 180.0° |
| C09 | N02 | C08 | O | 1.2° | 0.0° |
| C09 | N02 | C08 | C07 | 179.0° | 180.0° |
| N02 | C09 | C10 | H08 | 25.4° | 54.3° |
| N02 | C09 | H06 | H07 | 120.1° | 120.0° |
| N02 | C08 | O | C07 | 179.7° | 180.0° |
| N02 | C08 | C07 | O01 | 0.4° | 0.0° |
| N02 | C08 | C07 | N01 | 179.4° | 180.0° |
| C08 | N02 | C09 | H06 | 153.3° | 60.0° |
| C08 | N02 | C09 | H07 | 33.2° | 60.0° |
| O | C08 | C07 | O01 | 179.9° | 180.0° |
| O | C08 | C07 | N01 | 0.4° | 0.0° |
| O | C08 | N02 | H05 | 178.8° | 180.0° |
| C08 | C07 | O01 | N01 | 179.7° | 180.0° |
| C08 | C07 | N01 | C05 | 179.6° | 174.7° |
| C08 | C07 | N01 | H04 | 0.4° | 5.3° |
| C07 | C08 | N02 | H05 | 0.9° | 0.0° |
| O01 | C07 | N01 | C05 | 0.7° | 5.3° |
| O01 | C07 | N01 | H04 | 179.3° | 174.7° |
| C07 | N01 | C05 | H04 | 180.0° | 180.0° |
| C07 | N01 | C05 | C06 | 22.0° | 33.4° |
| C07 | N01 | C05 | C04 | 156.9° | 146.7° |
| N01 | C05 | C06 | C04 | 179.0° | 179.9° |
| N01 | C05 | C06 | C01 | 179.5° | 180.0° |
| N01 | C05 | C04 | C03 | 179.5° | 179.9° |
| N01 | C05 | C04 | H02 | 0.5° | 0.1° |
| N01 | C05 | C06 | H03 | 0.5° | 0.1° |
| C05 | C06 | C01 | H03 | 180.0° | 179.9° |
| C05 | C06 | C01 | F | 179.7° | 179.8° |
| C05 | C06 | C01 | C02 | 0.3° | 0.0° |
| C06 | C05 | C04 | C03 | 0.5° | 0.0° |
| C06 | C05 | C04 | H02 | 179.5° | 180.0° |
| C06 | C05 | N01 | H04 | 158.0° | 146.6° |
| C04 | C05 | C06 | C01 | 0.6° | 0.0° |
| C05 | C04 | C03 | H02 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | H01 | 179.8° | 179.9° |
| C04 | C05 | C06 | H03 | 179.4° | 180.0° |
| C04 | C05 | N01 | H04 | 23.1° | 33.3° |
| C06 | C01 | F | C02 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.0° | 0.0° |
| C06 | C01 | C02 | CL | 179.9° | 180.0° |
| F | C01 | C02 | C03 | 179.9° | 179.7° |
| F | C01 | C02 | CL | 0.0° | 0.3° |
| F | C01 | C06 | H03 | 0.3° | 0.3° |
| C01 | C02 | C03 | C04 | 0.1° | 0.1° |
| C01 | C02 | C03 | CL | 179.9° | 180.0° |
| C01 | C02 | C03 | H01 | 179.9° | 179.9° |
| C02 | C01 | C06 | H03 | 179.7° | 180.0° |
| C04 | C03 | C02 | H01 | 180.0° | 179.9° |
| C04 | C03 | C02 | CL | 180.0° | 179.9° |
| C02 | C03 | C04 | H02 | 179.8° | 179.9° |
| CL | C02 | C03 | H01 | 0.0° | 0.1° |
| H01 | C03 | C04 | H02 | 0.2° | 0.1° |
| H08 | C10 | C11 | H09 | 146.7° | 21.3° |
| H08 | C10 | C11 | H10 | 25.7° | 144.4° |
| H08 | C10 | C09 | H06 | 145.3° | 65.7° |
| H08 | C10 | C09 | H07 | 94.6° | 174.3° |
| H08 | C10 | C13 | H13 | 40.5° | 120.5° |
| H08 | C10 | C13 | H14 | 161.7° | 0.9° |
| H09 | C11 | C12 | H11 | 0.9° | 37.4° |
| H09 | C11 | C12 | H12 | 120.2° | 85.7° |
| H10 | C11 | C12 | H11 | 121.9° | 160.5° |
| H10 | C11 | C12 | H12 | 0.9° | 37.4° |
| H17 | C15 | C14 | H15 | 144.1° | 0.1° |
| H17 | C15 | C | H | 140.8° | 0.0° |
| H17 | C15 | C | H18 | 0.0° | 145.1° |
| H16 | C15 | C14 | H15 | 3.2° | 145.0° |
| H16 | C15 | C | H | 0.0° | 145.0° |
| H16 | C15 | C | H18 | 140.8° | 0.1° |
| H05 | N02 | C09 | H06 | 26.8° | 120.0° |
| H05 | N02 | C09 | H07 | 146.8° | 120.0° |
| H15 | C14 | C | H | 3.3° | 0.1° |
| H15 | C14 | C | H18 | 144.1° | 145.1° |
