RL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C14 | N15 | sing | 1.36Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.39Å | Aromatic |
| N15 | C16 | sing | 1.38Å | 1.35Å | Aromatic |
| N18 | C19 | sing | 1.46Å | 1.46Å | |
| N18 | C17 | sing | 1.35Å | 1.46Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C13 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C12 | C03 | sing | 1.51Å | 1.54Å | |
| C16 | C17 | sing | 1.47Å | 1.54Å | |
| C16 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| F01 | C02 | sing | 1.35Å | 1.37Å | |
| C17 | O22 | doub | 1.22Å | 1.19Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| F09 | C07 | sing | 1.40Å | 1.37Å | |
| C07 | F08 | sing | 1.40Å | 1.37Å | |
| C07 | F10 | sing | 1.40Å | 1.37Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C19 | 60.4° | 60.0° |
| C21 | C20 | C19 | 59.9° | 60.0° |
| C21 | C20 | H202 | 120.0° | 117.5° |
| C21 | C20 | H201 | 120.0° | 117.5° |
| C20 | C21 | H211 | 119.9° | 117.5° |
| C20 | C21 | H212 | 119.9° | 117.5° |
| C21 | C19 | N18 | 114.7° | 117.6° |
| C21 | C19 | C20 | 59.7° | 60.0° |
| C21 | C19 | H191 | 117.6° | 117.5° |
| C19 | C21 | H211 | 119.9° | 117.5° |
| C19 | C21 | H212 | 119.9° | 117.5° |
| N15 | C14 | C13 | 107.5° | 108.9° |
| C14 | N15 | C16 | 109.9° | 108.6° |
| N15 | C14 | H141 | 126.2° | 125.6° |
| C14 | N15 | H151 | 125.0° | 125.7° |
| C14 | C13 | C12 | 125.6° | 126.1° |
| C14 | C13 | C23 | 108.0° | 107.8° |
| C13 | C14 | H141 | 126.3° | 125.5° |
| N15 | C16 | C17 | 125.0° | 126.2° |
| N15 | C16 | C23 | 107.9° | 107.6° |
| C16 | N15 | H151 | 125.1° | 125.7° |
| C19 | N18 | C17 | 119.9° | 120.0° |
| N18 | C19 | C20 | 114.4° | 117.5° |
| N18 | C19 | H191 | 119.1° | 115.5° |
| C19 | N18 | H181 | 120.0° | 120.0° |
| N18 | C17 | C16 | 117.1° | 120.0° |
| N18 | C17 | O22 | 121.1° | 120.0° |
| C17 | N18 | H181 | 120.1° | 120.0° |
| C12 | C13 | C23 | 126.4° | 126.1° |
| C13 | C12 | C03 | 113.7° | 109.5° |
| C13 | C12 | H122 | 108.4° | 109.5° |
| C13 | C12 | H121 | 108.4° | 109.5° |
| C13 | C23 | C16 | 106.8° | 107.1° |
| C13 | C23 | C24 | 126.5° | 126.4° |
| C20 | C19 | H191 | 117.5° | 117.5° |
| C19 | C20 | H202 | 120.0° | 117.5° |
| C19 | C20 | H201 | 120.0° | 117.5° |
| C12 | C03 | C02 | 116.9° | 120.0° |
| C12 | C03 | C04 | 122.4° | 120.0° |
| C03 | C12 | H122 | 108.4° | 109.5° |
| C03 | C12 | H121 | 108.4° | 109.4° |
| C17 | C16 | C23 | 127.0° | 126.2° |
| C16 | C17 | O22 | 121.8° | 120.0° |
| C16 | C23 | C24 | 126.7° | 126.5° |
| F01 | C02 | C03 | 119.6° | 120.0° |
| F01 | C02 | C11 | 120.4° | 120.1° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C02 | C03 | C04 | 120.7° | 120.0° |
| C03 | C02 | C11 | 120.0° | 119.9° |
| C03 | C04 | C05 | 119.2° | 120.0° |
| C03 | C04 | H041 | 120.4° | 120.0° |
| C02 | C11 | C06 | 119.7° | 120.0° |
| C02 | C11 | H111 | 120.2° | 120.0° |
| C04 | C05 | C06 | 120.1° | 120.1° |
| C05 | C04 | H041 | 120.4° | 120.0° |
| C04 | C05 | H051 | 120.0° | 120.0° |
| C11 | C06 | C05 | 120.3° | 120.0° |
| C11 | C06 | C07 | 119.2° | 120.0° |
| C06 | C11 | H111 | 120.2° | 120.0° |
| C05 | C06 | C07 | 120.5° | 120.0° |
| C06 | C05 | H051 | 119.9° | 120.0° |
| C06 | C07 | F09 | 109.1° | 109.4° |
| C06 | C07 | F08 | 109.4° | 109.5° |
| C06 | C07 | F10 | 109.0° | 109.5° |
| F09 | C07 | F08 | 109.6° | 109.5° |
| F09 | C07 | F10 | 109.7° | 109.5° |
| F08 | C07 | F10 | 109.9° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.4° | 115.5° |
| H211 | C21 | H212 | 109.5° | 115.6° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C19 | H211 | 109.6° | 107.5° |
| C20 | C21 | C19 | H212 | 109.6° | 107.5° |
| C21 | C20 | C19 | N18 | 105.4° | 107.5° |
| C21 | C20 | C19 | H202 | 109.5° | 107.5° |
| C21 | C20 | C19 | H201 | 109.4° | 107.5° |
| C20 | C21 | C19 | H191 | 107.3° | 107.5° |
| C21 | C20 | H202 | H201 | 144.8° | 145.7° |
| C20 | C21 | H211 | H212 | 144.5° | 145.6° |
| C21 | C19 | N18 | H191 | 147.2° | 145.7° |
| C21 | C19 | N18 | C17 | 131.7° | 136.2° |
| C19 | C21 | H211 | H212 | 144.5° | 145.7° |
| C21 | C19 | N18 | H181 | 48.3° | 43.7° |
| N15 | C14 | C13 | H141 | 180.0° | 179.6° |
| C14 | N15 | C16 | H151 | 180.0° | 179.7° |
| N15 | C14 | C13 | C12 | 179.1° | 179.9° |
| N15 | C14 | C13 | C23 | 0.8° | 0.3° |
| C14 | N15 | C16 | C17 | 178.0° | 179.9° |
| C14 | N15 | C16 | C23 | 1.6° | 0.3° |
| C13 | C14 | N15 | C16 | 0.5° | 0.4° |
| C14 | C13 | C12 | C23 | 178.0° | 179.9° |
| C14 | C13 | C12 | C03 | 97.5° | 95.1° |
| C14 | C13 | C23 | C16 | 1.8° | 0.1° |
| C14 | C13 | C23 | C24 | 179.7° | 180.0° |
| C14 | C13 | C12 | H122 | 141.9° | 144.9° |
| C14 | C13 | C12 | H121 | 23.1° | 24.9° |
| C13 | C14 | N15 | H151 | 179.4° | 179.9° |
| N15 | C16 | C17 | N18 | 10.1° | 0.3° |
| N15 | C16 | C23 | C13 | 2.1° | 0.2° |
| N15 | C16 | C17 | C23 | 175.6° | 179.7° |
| N15 | C16 | C17 | O22 | 171.5° | 179.7° |
| N15 | C16 | C23 | C24 | 179.4° | 179.8° |
| C16 | N15 | C14 | H141 | 179.5° | 180.0° |
| C19 | N18 | C17 | H181 | 180.0° | 180.0° |
| N18 | C19 | C20 | H191 | 147.0° | 145.0° |
| C19 | N18 | C17 | C16 | 177.9° | 180.0° |
| C19 | N18 | C17 | O22 | 0.5° | 0.0° |
| N18 | C19 | C20 | H202 | 145.1° | 0.0° |
| N18 | C19 | C20 | H201 | 4.0° | 144.9° |
| N18 | C19 | C21 | H211 | 4.6° | 145.0° |
| N18 | C19 | C21 | H212 | 145.4° | 0.1° |
| C17 | N18 | C19 | C20 | 65.3° | 155.1° |
| N18 | C17 | C16 | O22 | 178.4° | 180.0° |
| N18 | C17 | C16 | C23 | 165.5° | 180.0° |
| C17 | N18 | C19 | H191 | 81.1° | 9.4° |
| C13 | C12 | C03 | H122 | 120.6° | 120.0° |
| C13 | C12 | C03 | H121 | 120.6° | 120.0° |
| C12 | C13 | C23 | C16 | 180.0° | 179.9° |
| C12 | C13 | C23 | C24 | 1.4° | 0.1° |
| C13 | C12 | C03 | C02 | 179.6° | 85.0° |
| C13 | C12 | C03 | C04 | 0.4° | 95.0° |
| C13 | C12 | H122 | H121 | 118.1° | 120.0° |
| C12 | C13 | C14 | H141 | 0.9° | 0.2° |
| C23 | C13 | C12 | C03 | 84.5° | 85.1° |
| C13 | C23 | C16 | C17 | 178.3° | 179.9° |
| C13 | C23 | C16 | C24 | 178.5° | 180.0° |
| C23 | C13 | C12 | H122 | 36.1° | 34.9° |
| C23 | C13 | C12 | H121 | 154.9° | 155.0° |
| C23 | C13 | C14 | H141 | 179.2° | 179.9° |
| C13 | C23 | C24 | H241 | 89.1° | 90.0° |
| C13 | C23 | C24 | H243 | 150.9° | 30.1° |
| C13 | C23 | C24 | H242 | 30.9° | 150.1° |
| C19 | C20 | H202 | H201 | 144.8° | 145.7° |
| C20 | C19 | N18 | H181 | 114.7° | 24.9° |
| C12 | C03 | C02 | F01 | 0.1° | 0.3° |
| C12 | C03 | C02 | C04 | 180.0° | 180.0° |
| C12 | C03 | C02 | C11 | 180.0° | 180.0° |
| C12 | C03 | C04 | C05 | 179.9° | 180.0° |
| C03 | C12 | H122 | H121 | 118.1° | 120.0° |
| C12 | C03 | C04 | H041 | 0.1° | 0.1° |
| C17 | C16 | C23 | C24 | 3.2° | 0.0° |
| C17 | C16 | N15 | H151 | 2.0° | 0.2° |
| C16 | C17 | N18 | H181 | 2.2° | 0.0° |
| C23 | C16 | C17 | O22 | 12.9° | 0.0° |
| C16 | C23 | C24 | H241 | 89.1° | 90.0° |
| C16 | C23 | C24 | H243 | 30.9° | 150.0° |
| C16 | C23 | C24 | H242 | 150.9° | 30.0° |
| C23 | C16 | N15 | H151 | 178.3° | 179.9° |
| F01 | C02 | C03 | C11 | 179.9° | 179.7° |
| F01 | C02 | C03 | C04 | 179.9° | 179.7° |
| F01 | C02 | C11 | C06 | 179.8° | 179.7° |
| F01 | C02 | C11 | H111 | 0.2° | 0.4° |
| O22 | C17 | N18 | H181 | 179.4° | 180.0° |
| C23 | C24 | H241 | H243 | 120.0° | 120.1° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H243 | H242 | 120.0° | 120.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C03 | C02 | C11 | C06 | 0.1° | 0.0° |
| C02 | C03 | C12 | H122 | 59.8° | 155.0° |
| C02 | C03 | C12 | H121 | 59.0° | 35.0° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C03 | C02 | C11 | H111 | 179.9° | 179.9° |
| C04 | C03 | C02 | C11 | 0.0° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C04 | C03 | C12 | H122 | 120.2° | 25.0° |
| C04 | C03 | C12 | H121 | 121.0° | 145.0° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| C02 | C11 | C06 | H111 | 180.0° | 179.9° |
| C02 | C11 | C06 | C05 | 0.1° | 0.0° |
| C02 | C11 | C06 | C07 | 180.0° | 180.0° |
| C04 | C05 | C06 | C11 | 0.1° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C11 | C06 | C05 | C07 | 180.0° | 180.0° |
| C11 | C06 | C07 | F09 | 21.0° | 30.0° |
| C11 | C06 | C07 | F08 | 140.9° | 89.9° |
| C11 | C06 | C07 | F10 | 98.8° | 150.0° |
| C11 | C06 | C05 | H051 | 179.9° | 180.0° |
| C05 | C06 | C07 | F09 | 159.0° | 150.0° |
| C05 | C06 | C07 | F08 | 39.1° | 90.1° |
| C05 | C06 | C07 | F10 | 81.2° | 30.0° |
| C06 | C05 | C04 | H041 | 179.9° | 180.0° |
| C05 | C06 | C11 | H111 | 179.9° | 179.9° |
| C06 | C07 | F09 | F08 | 119.8° | 120.0° |
| C06 | C07 | F09 | F10 | 119.4° | 120.0° |
| C06 | C07 | F08 | F10 | 119.7° | 120.0° |
| C07 | C06 | C05 | H051 | 0.1° | 0.0° |
| C07 | C06 | C11 | H111 | 0.0° | 0.1° |
| F09 | C07 | F08 | F10 | 120.6° | 120.0° |
| H041 | C04 | C05 | H051 | 0.2° | 0.1° |
| H141 | C14 | N15 | H151 | 0.5° | 0.3° |
| H191 | C19 | C20 | H202 | 1.9° | 145.0° |
| H191 | C19 | C20 | H201 | 143.0° | 0.1° |
| H191 | C19 | C21 | H211 | 143.1° | 0.0° |
| H191 | C19 | C21 | H212 | 2.3° | 145.1° |
| H191 | C19 | N18 | H181 | 98.8° | 170.6° |
| H202 | C20 | C21 | H211 | 141.0° | 145.0° |
| H202 | C20 | C21 | H212 | 0.1° | 0.0° |
| H201 | C20 | C21 | H211 | 0.1° | 0.0° |
| H201 | C20 | C21 | H212 | 141.0° | 145.0° |
| H241 | C24 | H243 | H242 | 120.0° | 120.0° |
