R9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.53Å | 1.59Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C21 | sing | 1.53Å | 1.59Å | |
| C17 | S18 | sing | 1.81Å | 1.70Å | |
| C15 | N14 | sing | 1.47Å | 1.45Å | |
| C13 | C22 | doub | 1.40Å | 1.43Å | Aromatic |
| C13 | N12 | sing | 1.33Å | 1.38Å | Aromatic |
| C13 | N14 | sing | 1.38Å | 1.42Å | |
| C11 | N10 | sing | 1.32Å | 1.36Å | Aromatic |
| C11 | N12 | doub | 1.32Å | 1.38Å | Aromatic |
| C02 | C03 | doub | 1.39Å | 1.43Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.30Å | |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.43Å | Aromatic |
| C05 | C22 | sing | 1.47Å | 1.47Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | N08 | sing | 1.38Å | 1.42Å | Aromatic |
| C09 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C09 | N08 | sing | 1.37Å | 1.41Å | Aromatic |
| C09 | N10 | doub | 1.33Å | 1.39Å | Aromatic |
| C21 | S18 | sing | 1.81Å | 1.71Å | |
| O19 | S18 | doub | 1.42Å | 1.44Å | |
| O20 | S18 | doub | 1.42Å | 1.43Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 113.7° | 113.1° |
| C17 | C16 | C21 | 87.9° | 89.8° |
| C16 | C17 | S18 | 90.6° | 89.9° |
| C16 | C17 | H172 | 114.0° | 113.1° |
| C16 | C17 | H171 | 114.0° | 113.1° |
| C17 | C16 | H161 | 111.4° | 113.2° |
| C15 | C16 | C21 | 118.7° | 113.2° |
| C16 | C15 | N14 | 111.0° | 109.5° |
| C16 | C15 | H151 | 109.1° | 109.5° |
| C16 | C15 | H152 | 109.1° | 109.5° |
| C15 | C16 | H161 | 111.8° | 112.5° |
| C16 | C21 | S18 | 90.1° | 89.9° |
| C16 | C21 | H212 | 114.1° | 113.2° |
| C16 | C21 | H211 | 114.1° | 113.1° |
| C21 | C16 | H161 | 111.4° | 113.2° |
| C17 | S18 | C21 | 80.7° | 73.1° |
| C17 | S18 | O19 | 111.8° | 112.8° |
| C17 | S18 | O20 | 113.5° | 112.8° |
| S18 | C17 | H172 | 114.0° | 113.1° |
| S18 | C17 | H171 | 113.9° | 113.2° |
| C15 | N14 | C13 | 125.3° | 120.0° |
| N14 | C15 | H151 | 109.1° | 109.4° |
| N14 | C15 | H152 | 109.1° | 109.5° |
| C15 | N14 | H141 | 105.4° | 120.0° |
| C22 | C13 | N12 | 120.2° | 118.5° |
| C22 | C13 | N14 | 121.0° | 120.8° |
| C13 | C22 | C05 | 137.4° | 134.6° |
| C13 | C22 | C09 | 116.1° | 118.8° |
| N12 | C13 | N14 | 118.8° | 120.8° |
| C13 | N12 | C11 | 119.1° | 120.9° |
| C13 | N14 | H141 | 105.4° | 120.0° |
| N10 | C11 | N12 | 125.1° | 122.6° |
| C11 | N10 | C09 | 115.8° | 120.8° |
| N10 | C11 | H111 | 117.5° | 118.7° |
| N12 | C11 | H111 | 117.4° | 118.7° |
| C03 | C02 | C07 | 120.3° | 120.5° |
| C03 | C02 | F01 | 119.2° | 119.7° |
| C02 | C03 | C04 | 119.4° | 120.2° |
| C02 | C03 | H031 | 120.3° | 119.9° |
| C07 | C02 | F01 | 120.4° | 119.8° |
| C02 | C07 | C06 | 119.2° | 120.0° |
| C02 | C07 | H071 | 120.4° | 120.0° |
| C03 | C04 | C05 | 122.2° | 119.9° |
| C04 | C03 | H031 | 120.3° | 119.9° |
| C03 | C04 | H041 | 118.9° | 120.1° |
| C04 | C05 | C06 | 117.2° | 120.0° |
| C04 | C05 | C22 | 135.2° | 133.8° |
| C05 | C04 | H041 | 118.9° | 120.0° |
| C06 | C05 | C22 | 107.6° | 106.2° |
| C05 | C06 | C07 | 121.6° | 119.3° |
| C05 | C06 | N08 | 107.9° | 108.3° |
| C05 | C22 | C09 | 106.5° | 106.6° |
| C07 | C06 | N08 | 130.5° | 132.3° |
| C06 | C07 | H071 | 120.4° | 119.9° |
| C06 | N08 | C09 | 109.3° | 110.4° |
| C06 | N08 | H081 | 125.3° | 124.9° |
| C22 | C09 | N08 | 108.8° | 108.4° |
| C22 | C09 | N10 | 123.6° | 118.4° |
| N08 | C09 | N10 | 127.6° | 133.2° |
| C09 | N08 | H081 | 125.4° | 124.7° |
| C21 | S18 | O19 | 112.5° | 112.7° |
| C21 | S18 | O20 | 113.1° | 112.7° |
| S18 | C21 | H212 | 114.1° | 113.1° |
| S18 | C21 | H211 | 114.1° | 113.2° |
| O19 | S18 | O20 | 119.1° | 122.4° |
| H172 | C17 | H171 | 109.5° | 112.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 112.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | C21 | 101.2° | 100.3° |
| C17 | C16 | C15 | H161 | 127.1° | 129.8° |
| C17 | C16 | C21 | H161 | 112.2° | 115.3° |
| C16 | C17 | S18 | H172 | 116.7° | 115.2° |
| C16 | C17 | S18 | H171 | 116.7° | 115.2° |
| C17 | C16 | C15 | N14 | 71.3° | 175.0° |
| C17 | C16 | C21 | S18 | 24.9° | 32.9° |
| C16 | C17 | S18 | O19 | 87.0° | 79.5° |
| C16 | C17 | S18 | O20 | 134.8° | 136.7° |
| C16 | C17 | H172 | H171 | 128.9° | 129.8° |
| C17 | C16 | C15 | H151 | 168.5° | 65.0° |
| C17 | C16 | C15 | H152 | 49.0° | 55.0° |
| C17 | C16 | C21 | H212 | 91.7° | 82.4° |
| C17 | C16 | C21 | H211 | 141.5° | 148.2° |
| C15 | C16 | C21 | H161 | 131.9° | 129.5° |
| C15 | C16 | C17 | S18 | 145.7° | 148.2° |
| C16 | C15 | N14 | H151 | 120.2° | 120.0° |
| C16 | C15 | N14 | H152 | 120.2° | 120.0° |
| C16 | C15 | N14 | C13 | 62.8° | 180.0° |
| C15 | C16 | C21 | S18 | 140.9° | 148.1° |
| C15 | C16 | C17 | H172 | 97.6° | 96.6° |
| C15 | C16 | C17 | H171 | 29.0° | 32.9° |
| C16 | C15 | H151 | H152 | 119.3° | 120.1° |
| C15 | C16 | C21 | H212 | 24.3° | 32.9° |
| C15 | C16 | C21 | H211 | 102.5° | 96.6° |
| C16 | C15 | N14 | H141 | 175.1° | 0.0° |
| C21 | C16 | C15 | N14 | 172.5° | 84.6° |
| C16 | C21 | S18 | H212 | 116.6° | 115.3° |
| C16 | C21 | S18 | H211 | 116.6° | 115.3° |
| C16 | C21 | S18 | O19 | 86.3° | 79.5° |
| C16 | C21 | S18 | O20 | 135.3° | 136.8° |
| C21 | C16 | C17 | H172 | 141.9° | 148.2° |
| C21 | C16 | C17 | H171 | 91.5° | 82.4° |
| C21 | C16 | C15 | H151 | 67.3° | 35.3° |
| C21 | C16 | C15 | H152 | 52.3° | 155.4° |
| C16 | C21 | H212 | H211 | 129.2° | 129.8° |
| C17 | S18 | C21 | O19 | 109.8° | 108.2° |
| C17 | S18 | C21 | O20 | 111.8° | 108.1° |
| C17 | S18 | O19 | O20 | 135.6° | 139.8° |
| S18 | C17 | H172 | H171 | 128.9° | 129.8° |
| C17 | S18 | C21 | H212 | 93.0° | 86.7° |
| C17 | S18 | C21 | H211 | 140.1° | 143.9° |
| S18 | C17 | C16 | H161 | 87.0° | 82.4° |
| C15 | N14 | C13 | C22 | 161.7° | 180.0° |
| C15 | N14 | C13 | N12 | 18.4° | 0.3° |
| C15 | N14 | C13 | H141 | 122.1° | 180.0° |
| N14 | C15 | H151 | H152 | 119.3° | 120.0° |
| N14 | C15 | C16 | H161 | 55.8° | 45.2° |
| C22 | C13 | N12 | N14 | 179.9° | 179.8° |
| C22 | C13 | N12 | C11 | 0.3° | 0.1° |
| C13 | C22 | C05 | C04 | 1.5° | 0.1° |
| C13 | C22 | C05 | C06 | 179.2° | 180.0° |
| C13 | C22 | C05 | C09 | 179.2° | 179.9° |
| C13 | C22 | C09 | N08 | 179.7° | 180.0° |
| C13 | C22 | C09 | N10 | 0.6° | 0.1° |
| C22 | C13 | N14 | H141 | 76.2° | 0.1° |
| C13 | N12 | C11 | N10 | 0.1° | 0.0° |
| N12 | C13 | C22 | C05 | 179.6° | 180.0° |
| N12 | C13 | C22 | C09 | 0.5° | 0.1° |
| C13 | N12 | C11 | H111 | 179.9° | 180.0° |
| N12 | C13 | N14 | H141 | 103.7° | 179.7° |
| N14 | C13 | N12 | C11 | 179.6° | 179.7° |
| N14 | C13 | C22 | C05 | 0.2° | 0.2° |
| N14 | C13 | C22 | C09 | 179.3° | 179.7° |
| C13 | N14 | C15 | H151 | 57.5° | 60.0° |
| C13 | N14 | C15 | H152 | 177.0° | 60.0° |
| N10 | C11 | N12 | H111 | 180.0° | 180.0° |
| C11 | N10 | C09 | C22 | 0.4° | 0.0° |
| C11 | N10 | C09 | N08 | 179.9° | 180.0° |
| N12 | C11 | N10 | C09 | 0.2° | 0.0° |
| C03 | C02 | C07 | F01 | 179.8° | 179.9° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.8° | 0.0° |
| C03 | C02 | C07 | C06 | 0.7° | 0.0° |
| C02 | C03 | C04 | H041 | 179.2° | 180.0° |
| C03 | C02 | C07 | H071 | 179.3° | 180.0° |
| C07 | C02 | C03 | C04 | 0.3° | 0.0° |
| C02 | C07 | C06 | C05 | 1.2° | 0.0° |
| C02 | C07 | C06 | H071 | 180.0° | 179.9° |
| C02 | C07 | C06 | N08 | 179.3° | 180.0° |
| C07 | C02 | C03 | H031 | 179.8° | 180.0° |
| F01 | C02 | C03 | C04 | 179.5° | 179.9° |
| F01 | C02 | C07 | C06 | 179.5° | 179.9° |
| F01 | C02 | C03 | H031 | 0.5° | 0.1° |
| F01 | C02 | C07 | H071 | 0.5° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C03 | C04 | C05 | C22 | 179.6° | 180.0° |
| C04 | C05 | C06 | C22 | 179.5° | 180.0° |
| C04 | C05 | C06 | C07 | 0.7° | 0.0° |
| C04 | C05 | C06 | N08 | 179.2° | 180.0° |
| C04 | C05 | C22 | C09 | 179.4° | 180.0° |
| C05 | C04 | C03 | H031 | 179.2° | 180.0° |
| C05 | C06 | C07 | N08 | 178.1° | 179.9° |
| C06 | C05 | C22 | C09 | 0.0° | 0.1° |
| C05 | C06 | N08 | C09 | 0.5° | 0.0° |
| C06 | C05 | C04 | H041 | 179.7° | 180.0° |
| C05 | C06 | C07 | H071 | 178.8° | 180.0° |
| C05 | C06 | N08 | H081 | 179.5° | 180.0° |
| C22 | C05 | C06 | C07 | 178.8° | 180.0° |
| C22 | C05 | C06 | N08 | 0.3° | 0.0° |
| C05 | C22 | C09 | N08 | 0.3° | 0.1° |
| C05 | C22 | C09 | N10 | 180.0° | 180.0° |
| C22 | C05 | C04 | H041 | 0.4° | 0.0° |
| C07 | C06 | N08 | C09 | 178.8° | 180.0° |
| C07 | C06 | N08 | H081 | 1.2° | 0.1° |
| C06 | N08 | C09 | C22 | 0.5° | 0.0° |
| C06 | N08 | C09 | H081 | 180.0° | 179.9° |
| C06 | N08 | C09 | N10 | 179.8° | 180.0° |
| N08 | C06 | C07 | H071 | 0.6° | 0.1° |
| C22 | C09 | N08 | N10 | 179.7° | 179.9° |
| C22 | C09 | N08 | H081 | 179.5° | 179.9° |
| C09 | N10 | C11 | H111 | 179.9° | 180.0° |
| N10 | C09 | N08 | H081 | 0.2° | 0.0° |
| C21 | S18 | O19 | O20 | 135.7° | 139.7° |
| C21 | S18 | C17 | H172 | 140.2° | 143.9° |
| C21 | S18 | C17 | H171 | 93.2° | 86.6° |
| S18 | C21 | H212 | H211 | 129.2° | 129.8° |
| S18 | C21 | C16 | H161 | 87.3° | 82.4° |
| O19 | S18 | C17 | H172 | 29.7° | 35.8° |
| O19 | S18 | C17 | H171 | 156.3° | 165.3° |
| O19 | S18 | C21 | H212 | 157.2° | 165.2° |
| O19 | S18 | C21 | H211 | 30.3° | 35.7° |
| O20 | S18 | C17 | H172 | 108.5° | 108.0° |
| O20 | S18 | C17 | H171 | 18.1° | 21.5° |
| O20 | S18 | C21 | H212 | 18.8° | 21.5° |
| O20 | S18 | C21 | H211 | 108.1° | 108.0° |
| H172 | C17 | C16 | H161 | 29.7° | 32.8° |
| H171 | C17 | C16 | H161 | 156.3° | 162.3° |
| H151 | C15 | N14 | H141 | 64.6° | 120.0° |
| H151 | C15 | C16 | H161 | 64.4° | 165.2° |
| H152 | C15 | N14 | H141 | 54.9° | 120.0° |
| H152 | C15 | C16 | H161 | 176.0° | 74.8° |
| H031 | C03 | C04 | H041 | 0.8° | 0.0° |
| H212 | C21 | C16 | H161 | 156.2° | 162.3° |
| H211 | C21 | C16 | H161 | 29.3° | 32.9° |
