RL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.34Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.47Å | 1.41Å | Aromatic |
| C19 | N18 | sing | 1.37Å | 1.32Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| N18 | C17 | sing | 1.37Å | 1.34Å | Aromatic |
| C22 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.48Å | 1.54Å | |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| O13 | C12 | doub | 1.22Å | 1.18Å | |
| C16 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C12 | N11 | sing | 1.35Å | 1.46Å | |
| N11 | C10 | sing | 1.46Å | 1.45Å | |
| O03 | C02 | doub | 1.21Å | 1.26Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| O01 | C02 | sing | 1.35Å | 1.26Å | |
| C23 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.48Å | 1.53Å | |
| C09 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | F08 | sing | 1.35Å | 1.36Å | |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 105.8° | 106.9° |
| C20 | C19 | N18 | 108.9° | 110.0° |
| C20 | C19 | H191 | 125.5° | 124.9° |
| C19 | C20 | H201 | 127.1° | 126.6° |
| C20 | C21 | C22 | 133.3° | 134.0° |
| C20 | C21 | C17 | 106.6° | 106.0° |
| C21 | C20 | H201 | 127.1° | 126.5° |
| C19 | N18 | C17 | 110.3° | 110.0° |
| N18 | C19 | H191 | 125.6° | 125.1° |
| C19 | N18 | H181 | 124.8° | 125.0° |
| C22 | C21 | C17 | 120.0° | 120.0° |
| C21 | C22 | C14 | 120.0° | 119.4° |
| C21 | C22 | H221 | 120.0° | 120.3° |
| C21 | C17 | N18 | 108.3° | 107.1° |
| C21 | C17 | C16 | 119.9° | 119.7° |
| N18 | C17 | C16 | 131.8° | 133.3° |
| C17 | N18 | H181 | 124.9° | 125.0° |
| C22 | C14 | C12 | 120.3° | 120.0° |
| C22 | C14 | C15 | 119.5° | 120.1° |
| C14 | C22 | H221 | 120.0° | 120.3° |
| C17 | C16 | C15 | 120.0° | 120.3° |
| C17 | C16 | H161 | 120.0° | 119.9° |
| C12 | C14 | C15 | 120.1° | 119.9° |
| C14 | C12 | O13 | 121.0° | 119.9° |
| C14 | C12 | N11 | 118.0° | 120.0° |
| C14 | C15 | C16 | 120.5° | 120.6° |
| C14 | C15 | H151 | 119.8° | 119.7° |
| O13 | C12 | N11 | 120.9° | 120.0° |
| C15 | C16 | H161 | 120.0° | 119.8° |
| C16 | C15 | H151 | 119.7° | 119.7° |
| C12 | N11 | C10 | 123.1° | 120.0° |
| C12 | N11 | H111 | 118.5° | 120.0° |
| N11 | C10 | C09 | 117.3° | 109.4° |
| N11 | C10 | H102 | 107.5° | 109.5° |
| N11 | C10 | H101 | 107.5° | 109.5° |
| C10 | N11 | H111 | 118.5° | 120.0° |
| O03 | C02 | O01 | 120.2° | 120.0° |
| O03 | C02 | C04 | 119.8° | 120.0° |
| C10 | C09 | C23 | 123.2° | 119.9° |
| C10 | C09 | C07 | 116.7° | 119.9° |
| C09 | C10 | H102 | 107.5° | 109.4° |
| C09 | C10 | H101 | 107.5° | 109.5° |
| O01 | C02 | C04 | 120.0° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C09 | C23 | C04 | 119.3° | 119.9° |
| C23 | C09 | C07 | 120.0° | 120.2° |
| C09 | C23 | H231 | 120.4° | 120.1° |
| C23 | C04 | C02 | 120.0° | 120.2° |
| C23 | C04 | C05 | 120.5° | 119.7° |
| C04 | C23 | H231 | 120.4° | 120.0° |
| C02 | C04 | C05 | 119.6° | 120.1° |
| C09 | C07 | F08 | 119.6° | 119.9° |
| C09 | C07 | C06 | 120.6° | 120.2° |
| C04 | C05 | C06 | 120.0° | 119.9° |
| C04 | C05 | H051 | 120.0° | 120.0° |
| F08 | C07 | C06 | 119.8° | 119.9° |
| C07 | C06 | C05 | 119.6° | 120.1° |
| C07 | C06 | H061 | 120.2° | 119.9° |
| C06 | C05 | H051 | 120.0° | 120.1° |
| C05 | C06 | H061 | 120.2° | 119.9° |
| H102 | C10 | H101 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H201 | 180.0° | 179.9° |
| C20 | C19 | N18 | H191 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 178.6° | 180.0° |
| C19 | C20 | C21 | C17 | 0.0° | 0.1° |
| C20 | C19 | N18 | C17 | 0.0° | 0.0° |
| C20 | C19 | N18 | H181 | 180.0° | 179.6° |
| C21 | C20 | C19 | N18 | 0.0° | 0.0° |
| C20 | C21 | C22 | C17 | 178.4° | 179.9° |
| C20 | C21 | C17 | N18 | 0.0° | 0.1° |
| C20 | C21 | C22 | C14 | 179.2° | 180.0° |
| C20 | C21 | C17 | C16 | 180.0° | 180.0° |
| C21 | C20 | C19 | H191 | 180.0° | 179.7° |
| C20 | C21 | C22 | H221 | 0.9° | 0.1° |
| C19 | N18 | C17 | C21 | 0.0° | 0.0° |
| C19 | N18 | C17 | H181 | 180.0° | 179.6° |
| C19 | N18 | C17 | C16 | 180.0° | 180.0° |
| N18 | C19 | C20 | H201 | 180.0° | 179.9° |
| C22 | C21 | C17 | N18 | 178.8° | 180.0° |
| C21 | C22 | C14 | H221 | 180.0° | 179.9° |
| C22 | C21 | C17 | C16 | 1.2° | 0.0° |
| C21 | C22 | C14 | C12 | 177.1° | 180.0° |
| C21 | C22 | C14 | C15 | 0.7° | 0.0° |
| C22 | C21 | C20 | H201 | 1.4° | 0.1° |
| C21 | C17 | N18 | C16 | 180.0° | 180.0° |
| C17 | C21 | C22 | C14 | 0.8° | 0.0° |
| C21 | C17 | C16 | C15 | 0.2° | 0.1° |
| C17 | C21 | C20 | H201 | 180.0° | 180.0° |
| C17 | C21 | C22 | H221 | 179.2° | 180.0° |
| C21 | C17 | C16 | H161 | 179.8° | 180.0° |
| C21 | C17 | N18 | H181 | 180.0° | 179.7° |
| N18 | C17 | C16 | C15 | 179.8° | 179.9° |
| C17 | N18 | C19 | H191 | 180.0° | 179.7° |
| N18 | C17 | C16 | H161 | 0.2° | 0.0° |
| C22 | C14 | C12 | C15 | 176.4° | 180.0° |
| C22 | C14 | C12 | O13 | 24.6° | 0.0° |
| C22 | C14 | C15 | C16 | 1.8° | 0.0° |
| C22 | C14 | C12 | N11 | 152.6° | 180.0° |
| C22 | C14 | C15 | H151 | 178.2° | 180.0° |
| C17 | C16 | C15 | C14 | 1.3° | 0.1° |
| C17 | C16 | C15 | H161 | 180.0° | 179.9° |
| C17 | C16 | C15 | H151 | 178.7° | 180.0° |
| C16 | C17 | N18 | H181 | 0.0° | 0.4° |
| C14 | C12 | O13 | N11 | 177.1° | 179.9° |
| C12 | C14 | C15 | C16 | 178.2° | 180.0° |
| C14 | C12 | N11 | C10 | 176.4° | 180.0° |
| C12 | C14 | C22 | H221 | 2.8° | 0.0° |
| C12 | C14 | C15 | H151 | 1.8° | 0.0° |
| C14 | C12 | N11 | H111 | 3.6° | 0.1° |
| C15 | C14 | C12 | O13 | 159.0° | 180.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C15 | C14 | C12 | N11 | 23.8° | 0.0° |
| C15 | C14 | C22 | H221 | 179.3° | 180.0° |
| C14 | C15 | C16 | H161 | 178.7° | 180.0° |
| O13 | C12 | N11 | C10 | 0.8° | 0.1° |
| O13 | C12 | N11 | H111 | 179.2° | 180.0° |
| C12 | N11 | C10 | H111 | 180.0° | 179.9° |
| C12 | N11 | C10 | C09 | 69.4° | 180.0° |
| C12 | N11 | C10 | H102 | 51.7° | 60.1° |
| C12 | N11 | C10 | H101 | 169.4° | 60.0° |
| N11 | C10 | C09 | H102 | 121.1° | 120.0° |
| N11 | C10 | C09 | H101 | 121.1° | 120.0° |
| N11 | C10 | C09 | C23 | 3.6° | 105.0° |
| N11 | C10 | C09 | C07 | 175.3° | 75.0° |
| N11 | C10 | H102 | H101 | 116.5° | 120.0° |
| O03 | C02 | O01 | C04 | 179.9° | 180.0° |
| O03 | C02 | C04 | C23 | 153.8° | 0.0° |
| O03 | C02 | C04 | C05 | 26.2° | 180.0° |
| O03 | C02 | O01 | H1 | 0.0° | 0.1° |
| C10 | C09 | C23 | C07 | 178.8° | 180.0° |
| C10 | C09 | C23 | C04 | 179.5° | 180.0° |
| C10 | C09 | C07 | F08 | 0.8° | 0.0° |
| C10 | C09 | C07 | C06 | 179.5° | 180.0° |
| C10 | C09 | C23 | H231 | 0.5° | 0.3° |
| C09 | C10 | H102 | H101 | 116.4° | 120.0° |
| C09 | C10 | N11 | H111 | 110.5° | 0.1° |
| O01 | C02 | C04 | C23 | 26.3° | 179.9° |
| O01 | C02 | C04 | C05 | 153.7° | 0.0° |
| C09 | C23 | C04 | H231 | 180.0° | 179.8° |
| C09 | C23 | C04 | C02 | 179.7° | 180.0° |
| C09 | C23 | C04 | C05 | 0.3° | 0.0° |
| C23 | C09 | C07 | F08 | 179.7° | 180.0° |
| C23 | C09 | C07 | C06 | 0.6° | 0.0° |
| C23 | C09 | C10 | H102 | 124.7° | 135.0° |
| C23 | C09 | C10 | H101 | 117.6° | 15.0° |
| C23 | C04 | C02 | C05 | 180.0° | 179.9° |
| C04 | C23 | C09 | C07 | 0.7° | 0.0° |
| C23 | C04 | C05 | C06 | 0.1° | 0.0° |
| C23 | C04 | C05 | H051 | 179.9° | 180.0° |
| C02 | C04 | C05 | C06 | 179.9° | 180.0° |
| C02 | C04 | C23 | H231 | 0.4° | 0.2° |
| C02 | C04 | C05 | H051 | 0.1° | 0.0° |
| C04 | C02 | O01 | H1 | 179.9° | 179.9° |
| C09 | C07 | F08 | C06 | 179.7° | 179.9° |
| C09 | C07 | C06 | C05 | 0.2° | 0.0° |
| C07 | C09 | C23 | H231 | 179.3° | 179.8° |
| C07 | C09 | C10 | H102 | 54.2° | 45.0° |
| C07 | C09 | C10 | H101 | 63.5° | 165.0° |
| C09 | C07 | C06 | H061 | 179.8° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C05 | C04 | C23 | H231 | 179.6° | 179.7° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| F08 | C07 | C06 | C05 | 179.9° | 179.9° |
| F08 | C07 | C06 | H061 | 0.1° | 0.1° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | H051 | 179.9° | 180.0° |
| H191 | C19 | C20 | H201 | 0.0° | 0.4° |
| H191 | C19 | N18 | H181 | 0.0° | 0.1° |
| H102 | C10 | N11 | H111 | 128.3° | 120.0° |
| H101 | C10 | N11 | H111 | 10.6° | 119.9° |
| H161 | C16 | C15 | H151 | 1.3° | 0.0° |
| H051 | C05 | C06 | H061 | 0.2° | 0.0° |
