7RL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F09 | C08 | sing | 1.35Å | 1.31Å | |
| N05 | C06 | sing | 1.47Å | 1.41Å | |
| N05 | C04 | sing | 1.37Å | 1.43Å | |
| C06 | C07 | sing | 1.51Å | 1.49Å | |
| N03 | C04 | sing | 1.36Å | 1.40Å | |
| N03 | C02 | sing | 1.35Å | 1.38Å | |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | N14 | doub | 1.31Å | 1.43Å | |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C07 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | C16 | sing | 1.41Å | 1.48Å | |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| N14 | C15 | sing | 1.34Å | 1.44Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.46Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | N19 | sing | 1.36Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.34Å | 1.38Å | Aromatic |
| N19 | C18 | sing | 1.37Å | 1.34Å | Aromatic |
| N19 | C20 | sing | 1.46Å | 1.39Å | |
| C20 | C21 | sing | 1.51Å | 1.47Å | |
| O30 | C21 | doub | 1.21Å | 1.19Å | |
| C21 | N22 | sing | 1.35Å | 1.42Å | |
| N22 | C23 | sing | 1.40Å | 1.42Å | |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | N26 | doub | 1.32Å | 1.32Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | CL29 | sing | 1.74Å | 1.72Å | |
| N26 | C27 | sing | 1.32Å | 1.32Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F09 | C08 | C07 | 120.5° | 120.0° |
| F09 | C08 | C10 | 119.0° | 120.0° |
| C06 | N05 | C04 | 119.0° | 120.0° |
| N05 | C06 | C07 | 110.6° | 109.5° |
| N05 | C06 | H062 | 109.2° | 109.5° |
| N05 | C06 | H061 | 109.2° | 109.5° |
| C06 | N05 | H051 | 120.5° | 120.0° |
| N05 | C04 | N03 | 122.0° | 118.9° |
| N05 | C04 | N14 | 117.6° | 118.9° |
| C04 | N05 | H051 | 120.5° | 120.1° |
| C06 | C07 | C08 | 120.4° | 120.0° |
| C06 | C07 | C13 | 119.4° | 120.0° |
| C07 | C06 | H062 | 109.2° | 109.5° |
| C07 | C06 | H061 | 109.2° | 109.4° |
| C04 | N03 | C02 | 122.1° | 120.1° |
| N03 | C04 | N14 | 120.4° | 122.2° |
| C04 | N03 | H031 | 119.0° | 120.0° |
| N03 | C02 | O01 | 119.4° | 120.9° |
| N03 | C02 | C16 | 118.4° | 118.2° |
| C02 | N03 | H031 | 119.0° | 119.9° |
| C07 | C08 | C10 | 120.5° | 120.0° |
| C08 | C07 | C13 | 120.2° | 119.9° |
| C08 | C10 | C11 | 119.1° | 119.9° |
| C08 | C10 | H101 | 120.4° | 120.1° |
| C04 | N14 | C15 | 117.4° | 121.2° |
| O01 | C02 | C16 | 122.1° | 120.9° |
| C07 | C13 | C12 | 119.4° | 120.1° |
| C07 | C13 | H131 | 120.3° | 120.0° |
| C02 | C16 | C15 | 119.1° | 119.0° |
| C02 | C16 | C17 | 133.2° | 134.6° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C11 | C10 | H101 | 120.5° | 120.0° |
| C10 | C11 | H111 | 119.8° | 120.0° |
| N14 | C15 | C16 | 122.6° | 119.2° |
| N14 | C15 | N19 | 130.0° | 133.6° |
| C13 | C12 | C11 | 120.4° | 120.1° |
| C12 | C13 | H131 | 120.3° | 120.0° |
| C13 | C12 | H121 | 119.8° | 119.9° |
| C15 | C16 | C17 | 107.7° | 106.3° |
| C16 | C15 | N19 | 107.4° | 107.2° |
| C16 | C17 | C18 | 107.0° | 106.7° |
| C16 | C17 | H171 | 126.5° | 126.6° |
| C12 | C11 | H111 | 119.8° | 120.0° |
| C11 | C12 | H121 | 119.8° | 120.0° |
| C15 | N19 | C18 | 110.5° | 110.1° |
| C15 | N19 | C20 | 122.5° | 125.0° |
| C17 | C18 | N19 | 107.3° | 109.6° |
| C18 | C17 | H171 | 126.5° | 126.7° |
| C17 | C18 | H181 | 126.3° | 125.2° |
| C18 | N19 | C20 | 126.9° | 124.9° |
| N19 | C18 | H181 | 126.4° | 125.2° |
| N19 | C20 | C21 | 120.1° | 109.5° |
| N19 | C20 | H201 | 106.7° | 109.5° |
| N19 | C20 | H202 | 106.8° | 109.5° |
| C20 | C21 | O30 | 119.6° | 120.0° |
| C20 | C21 | N22 | 116.4° | 120.0° |
| C21 | C20 | H201 | 106.8° | 109.5° |
| C21 | C20 | H202 | 106.8° | 109.5° |
| O30 | C21 | N22 | 124.0° | 120.0° |
| C21 | N22 | C23 | 124.2° | 120.0° |
| C21 | N22 | H221 | 117.9° | 120.0° |
| N22 | C23 | C24 | 120.6° | 120.9° |
| N22 | C23 | C28 | 121.1° | 120.9° |
| C23 | N22 | H221 | 117.9° | 120.0° |
| C23 | C24 | C25 | 119.8° | 119.1° |
| C24 | C23 | C28 | 117.9° | 118.2° |
| C23 | C24 | H241 | 120.1° | 120.4° |
| C24 | C25 | N26 | 120.4° | 120.9° |
| C24 | C25 | H251 | 119.8° | 119.5° |
| C25 | C24 | H241 | 120.1° | 120.5° |
| C23 | C28 | C27 | 119.5° | 119.1° |
| C23 | C28 | CL29 | 120.4° | 120.4° |
| C25 | N26 | C27 | 121.2° | 121.9° |
| N26 | C25 | H251 | 119.8° | 119.6° |
| C27 | C28 | CL29 | 120.0° | 120.5° |
| C28 | C27 | N26 | 121.0° | 120.8° |
| C28 | C27 | H271 | 119.5° | 119.6° |
| N26 | C27 | H271 | 119.5° | 119.6° |
| H062 | C06 | H061 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F09 | C08 | C07 | C06 | 0.5° | 0.3° |
| F09 | C08 | C07 | C10 | 179.7° | 180.0° |
| F09 | C08 | C07 | C13 | 179.4° | 179.4° |
| F09 | C08 | C10 | C11 | 179.0° | 180.0° |
| F09 | C08 | C10 | H101 | 0.9° | 0.2° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| N05 | C06 | C07 | H062 | 120.2° | 120.0° |
| N05 | C06 | C07 | H061 | 120.2° | 120.0° |
| C06 | N05 | C04 | N03 | 178.8° | 179.6° |
| N05 | C06 | C07 | C08 | 49.9° | 75.9° |
| C06 | N05 | C04 | N14 | 2.5° | 0.0° |
| N05 | C06 | C07 | C13 | 129.0° | 105.0° |
| N05 | C06 | H062 | H061 | 119.5° | 120.0° |
| C04 | N05 | C06 | C07 | 72.0° | 180.0° |
| N05 | C04 | N03 | N14 | 178.7° | 179.5° |
| N05 | C04 | N03 | C02 | 179.8° | 179.8° |
| N05 | C04 | N14 | C15 | 179.6° | 180.0° |
| C04 | N05 | C06 | H062 | 167.8° | 60.0° |
| C04 | N05 | C06 | H061 | 48.2° | 60.1° |
| N05 | C04 | N03 | H031 | 0.2° | 0.4° |
| C06 | C07 | C08 | C13 | 178.9° | 179.1° |
| C06 | C07 | C08 | C10 | 179.8° | 179.7° |
| C06 | C07 | C13 | C12 | 179.7° | 180.0° |
| C06 | C07 | C13 | H131 | 0.3° | 0.5° |
| C07 | C06 | H062 | H061 | 119.4° | 120.0° |
| C07 | C06 | N05 | H051 | 108.0° | 0.0° |
| C04 | N03 | C02 | H031 | 180.0° | 179.8° |
| C04 | N03 | C02 | O01 | 179.7° | 180.0° |
| C04 | N03 | C02 | C16 | 1.2° | 0.0° |
| N03 | C04 | N14 | C15 | 0.8° | 0.4° |
| N03 | C04 | N05 | H051 | 1.2° | 0.4° |
| C02 | N03 | C04 | N14 | 1.1° | 0.2° |
| N03 | C02 | O01 | C16 | 178.4° | 180.0° |
| N03 | C02 | C16 | C15 | 1.2° | 0.0° |
| N03 | C02 | C16 | C17 | 179.6° | 180.0° |
| C07 | C08 | C10 | C11 | 1.3° | 0.0° |
| C08 | C07 | C13 | C12 | 0.8° | 0.9° |
| C07 | C08 | C10 | H101 | 178.7° | 179.7° |
| C08 | C07 | C13 | H131 | 179.2° | 179.7° |
| C08 | C07 | C06 | H062 | 70.3° | 44.1° |
| C08 | C07 | C06 | H061 | 170.1° | 164.2° |
| C10 | C08 | C07 | C13 | 0.9° | 0.6° |
| C08 | C10 | C11 | H101 | 180.0° | 179.8° |
| C08 | C10 | C11 | C12 | 1.6° | 0.3° |
| C08 | C10 | C11 | H111 | 178.4° | 179.7° |
| C04 | N14 | C15 | C16 | 0.8° | 0.4° |
| C04 | N14 | C15 | N19 | 179.9° | 179.9° |
| N14 | C04 | N03 | H031 | 178.9° | 180.0° |
| N14 | C04 | N05 | H051 | 177.5° | 180.0° |
| O01 | C02 | C16 | C15 | 179.6° | 180.0° |
| O01 | C02 | C16 | C17 | 1.2° | 0.1° |
| O01 | C02 | N03 | H031 | 0.3° | 0.2° |
| C07 | C13 | C12 | H131 | 180.0° | 179.5° |
| C07 | C13 | C12 | C11 | 1.1° | 0.5° |
| C13 | C07 | C06 | H062 | 110.8° | 135.0° |
| C13 | C07 | C06 | H061 | 8.8° | 15.0° |
| C07 | C13 | C12 | H121 | 178.9° | 180.0° |
| C02 | C16 | C15 | N14 | 1.0° | 0.2° |
| C02 | C16 | C15 | C17 | 179.4° | 180.0° |
| C02 | C16 | C15 | N19 | 179.8° | 180.0° |
| C02 | C16 | C17 | C18 | 179.2° | 180.0° |
| C02 | C16 | C17 | H171 | 0.7° | 0.0° |
| C16 | C02 | N03 | H031 | 178.8° | 179.8° |
| C10 | C11 | C12 | C13 | 1.5° | 0.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | H121 | 178.5° | 179.4° |
| N14 | C15 | C16 | N19 | 179.2° | 179.8° |
| N14 | C15 | C16 | C17 | 179.6° | 179.8° |
| N14 | C15 | N19 | C18 | 179.9° | 179.7° |
| N14 | C15 | N19 | C20 | 1.1° | 0.3° |
| C13 | C12 | C11 | H121 | 180.0° | 179.5° |
| C13 | C12 | C11 | H111 | 178.5° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C16 | C15 | N19 | C18 | 0.7° | 0.0° |
| C16 | C15 | N19 | C20 | 179.7° | 180.0° |
| C15 | C16 | C17 | H171 | 180.0° | 180.0° |
| C17 | C16 | C15 | N19 | 0.4° | 0.0° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 0.5° | 0.0° |
| C16 | C17 | C18 | H181 | 179.6° | 179.9° |
| C12 | C11 | C10 | H101 | 178.4° | 180.0° |
| C11 | C12 | C13 | H131 | 178.9° | 180.0° |
| C15 | N19 | C18 | C17 | 0.7° | 0.0° |
| C15 | N19 | C18 | C20 | 179.0° | 180.0° |
| C15 | N19 | C20 | C21 | 89.3° | 85.0° |
| C15 | N19 | C18 | H181 | 179.3° | 179.9° |
| C15 | N19 | C20 | H201 | 32.2° | 35.1° |
| C15 | N19 | C20 | H202 | 149.2° | 155.0° |
| C17 | C18 | N19 | H181 | 180.0° | 179.9° |
| C17 | C18 | N19 | C20 | 179.7° | 180.0° |
| C18 | N19 | C20 | C21 | 89.5° | 95.0° |
| N19 | C18 | C17 | H171 | 179.6° | 180.0° |
| C18 | N19 | C20 | H201 | 149.0° | 144.9° |
| C18 | N19 | C20 | H202 | 32.0° | 25.0° |
| N19 | C20 | C21 | H201 | 121.5° | 120.0° |
| N19 | C20 | C21 | H202 | 121.5° | 120.0° |
| N19 | C20 | C21 | O30 | 15.1° | 0.0° |
| N19 | C20 | C21 | N22 | 164.3° | 180.0° |
| C20 | N19 | C18 | H181 | 0.3° | 0.1° |
| N19 | C20 | H201 | H202 | 115.2° | 119.9° |
| C20 | C21 | O30 | N22 | 179.3° | 179.9° |
| C20 | C21 | N22 | C23 | 175.6° | 174.4° |
| C21 | C20 | H201 | H202 | 115.2° | 120.0° |
| C20 | C21 | N22 | H221 | 4.4° | 5.6° |
| O30 | C21 | N22 | C23 | 5.0° | 5.6° |
| O30 | C21 | C20 | H201 | 106.4° | 120.1° |
| O30 | C21 | C20 | H202 | 136.6° | 120.0° |
| O30 | C21 | N22 | H221 | 175.0° | 174.4° |
| C21 | N22 | C23 | H221 | 180.0° | 180.0° |
| C21 | N22 | C23 | C24 | 24.4° | 24.6° |
| C21 | N22 | C23 | C28 | 162.6° | 155.5° |
| N22 | C21 | C20 | H201 | 74.3° | 60.0° |
| N22 | C21 | C20 | H202 | 42.8° | 60.0° |
| N22 | C23 | C24 | C28 | 173.2° | 179.9° |
| N22 | C23 | C24 | C25 | 176.8° | 180.0° |
| N22 | C23 | C28 | C27 | 176.6° | 179.9° |
| N22 | C23 | C28 | CL29 | 5.3° | 0.4° |
| N22 | C23 | C24 | H241 | 3.2° | 0.1° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | N26 | 2.7° | 0.3° |
| C24 | C23 | C28 | C27 | 3.4° | 0.0° |
| C24 | C23 | C28 | CL29 | 178.5° | 179.7° |
| C23 | C24 | C25 | H251 | 177.3° | 179.7° |
| C24 | C23 | N22 | H221 | 155.6° | 155.4° |
| C25 | C24 | C23 | C28 | 3.6° | 0.1° |
| C24 | C25 | N26 | H251 | 180.0° | 179.4° |
| C24 | C25 | N26 | C27 | 1.5° | 0.5° |
| C23 | C28 | C27 | CL29 | 178.1° | 179.7° |
| C23 | C28 | C27 | N26 | 2.4° | 0.3° |
| C28 | C23 | C24 | H241 | 176.4° | 180.0° |
| C23 | C28 | C27 | H271 | 177.6° | 179.6° |
| C28 | C23 | N22 | H221 | 17.4° | 24.5° |
| C25 | N26 | C27 | C28 | 1.4° | 0.5° |
| N26 | C25 | C24 | H241 | 177.3° | 179.7° |
| C25 | N26 | C27 | H271 | 178.6° | 179.4° |
| C28 | C27 | N26 | H271 | 180.0° | 179.9° |
| CL29 | C28 | C27 | N26 | 179.5° | 179.9° |
| CL29 | C28 | C27 | H271 | 0.5° | 0.1° |
| C27 | N26 | C25 | H251 | 178.5° | 179.9° |
| H101 | C10 | C11 | H111 | 1.6° | 0.0° |
| H131 | C13 | C12 | H121 | 1.1° | 0.5° |
| H171 | C17 | C18 | H181 | 0.4° | 0.1° |
| H111 | C11 | C12 | H121 | 1.5° | 0.5° |
| H251 | C25 | C24 | H241 | 2.7° | 0.3° |
| H062 | C06 | N05 | H051 | 12.2° | 120.0° |
| H061 | C06 | N05 | H051 | 131.8° | 119.9° |
