RWL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL15 | C14 | sing | 1.74Å | 1.71Å | |
| C14 | S13 | sing | 1.71Å | 1.63Å | Aromatic |
| C14 | N16 | doub | 1.29Å | 1.36Å | Aromatic |
| S13 | C12 | sing | 1.76Å | 1.63Å | Aromatic |
| N16 | C11 | sing | 1.32Å | 1.44Å | Aromatic |
| C11 | C12 | doub | 1.34Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N09 | sing | 1.47Å | 1.45Å | |
| C08 | N09 | sing | 1.36Å | 1.35Å | Aromatic |
| C08 | N07 | doub | 1.30Å | 1.34Å | Aromatic |
| N09 | C17 | sing | 1.37Å | 1.35Å | Aromatic |
| N07 | C06 | sing | 1.36Å | 1.36Å | Aromatic |
| C17 | C06 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | N18 | sing | 1.33Å | 1.36Å | Aromatic |
| C06 | C04 | sing | 1.41Å | 1.42Å | Aromatic |
| N18 | C02 | doub | 1.32Å | 1.31Å | Aromatic |
| C04 | N05 | sing | 1.38Å | 1.44Å | |
| C04 | N03 | doub | 1.33Å | 1.32Å | Aromatic |
| C02 | N03 | sing | 1.33Å | 1.32Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.43Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N05 | H052 | sing | 0.97Å | 1.00Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL15 | C14 | S13 | 124.4° | 124.9° |
| CL15 | C14 | N16 | 117.8° | 124.9° |
| S13 | C14 | N16 | 117.8° | 110.2° |
| C14 | S13 | C12 | 91.8° | 90.3° |
| C14 | N16 | C11 | 106.7° | 117.0° |
| S13 | C12 | C11 | 112.5° | 108.0° |
| S13 | C12 | H121 | 123.8° | 126.1° |
| N16 | C11 | C12 | 111.1° | 114.5° |
| N16 | C11 | C10 | 121.2° | 122.7° |
| C12 | C11 | C10 | 127.6° | 122.8° |
| C11 | C12 | H121 | 123.7° | 126.0° |
| C11 | C10 | N09 | 112.1° | 109.5° |
| C11 | C10 | H102 | 108.8° | 109.5° |
| C11 | C10 | H101 | 108.8° | 109.5° |
| C10 | N09 | C08 | 128.3° | 126.3° |
| C10 | N09 | C17 | 122.9° | 126.2° |
| N09 | C10 | H102 | 108.8° | 109.5° |
| N09 | C10 | H101 | 108.8° | 109.4° |
| N09 | C08 | N07 | 109.0° | 110.0° |
| C08 | N09 | C17 | 108.7° | 107.4° |
| N09 | C08 | H081 | 125.5° | 125.0° |
| C08 | N07 | C06 | 107.2° | 109.4° |
| N07 | C08 | H081 | 125.5° | 125.0° |
| N09 | C17 | C06 | 106.4° | 106.0° |
| N09 | C17 | N18 | 131.7° | 134.8° |
| N07 | C06 | C17 | 108.8° | 107.1° |
| N07 | C06 | C04 | 134.6° | 134.5° |
| C06 | C17 | N18 | 121.9° | 119.2° |
| C17 | C06 | C04 | 116.6° | 118.3° |
| C17 | N18 | C02 | 118.1° | 120.6° |
| C06 | C04 | N05 | 121.7° | 120.7° |
| C06 | C04 | N03 | 118.8° | 118.6° |
| N18 | C02 | N03 | 122.7° | 122.2° |
| N18 | C02 | N01 | 119.3° | 118.8° |
| N05 | C04 | N03 | 119.6° | 120.7° |
| C04 | N05 | H052 | 109.5° | 120.1° |
| C04 | N05 | H051 | 109.5° | 120.0° |
| C04 | N03 | C02 | 121.9° | 121.1° |
| N03 | C02 | N01 | 118.0° | 118.9° |
| C02 | N01 | H012 | 109.5° | 119.9° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H012 | N01 | H011 | 109.5° | 120.0° |
| H052 | N05 | H051 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL15 | C14 | S13 | N16 | 178.5° | 179.8° |
| CL15 | C14 | S13 | C12 | 177.8° | 179.8° |
| CL15 | C14 | N16 | C11 | 178.2° | 179.7° |
| S13 | C14 | N16 | C11 | 0.4° | 0.0° |
| C14 | S13 | C12 | C11 | 0.7° | 0.0° |
| C14 | S13 | C12 | H121 | 179.3° | 180.0° |
| N16 | C14 | S13 | C12 | 0.7° | 0.0° |
| C14 | N16 | C11 | C12 | 0.2° | 0.0° |
| C14 | N16 | C11 | C10 | 178.9° | 180.0° |
| S13 | C12 | C11 | N16 | 0.7° | 0.0° |
| S13 | C12 | C11 | H121 | 180.0° | 180.0° |
| S13 | C12 | C11 | C10 | 179.3° | 180.0° |
| N16 | C11 | C12 | C10 | 178.6° | 179.9° |
| N16 | C11 | C10 | N09 | 59.3° | 55.0° |
| N16 | C11 | C12 | H121 | 179.4° | 180.0° |
| N16 | C11 | C10 | H102 | 61.1° | 65.1° |
| N16 | C11 | C10 | H101 | 179.7° | 175.0° |
| C12 | C11 | C10 | N09 | 122.1° | 124.9° |
| C12 | C11 | C10 | H102 | 117.4° | 115.0° |
| C12 | C11 | C10 | H101 | 1.8° | 4.9° |
| C11 | C10 | N09 | H102 | 120.4° | 120.0° |
| C11 | C10 | N09 | H101 | 120.4° | 120.0° |
| C11 | C10 | N09 | C08 | 75.8° | 94.9° |
| C11 | C10 | N09 | C17 | 108.4° | 84.6° |
| C10 | C11 | C12 | H121 | 0.7° | 0.1° |
| C11 | C10 | H102 | H101 | 118.8° | 120.0° |
| C10 | N09 | C08 | C17 | 176.3° | 179.6° |
| C10 | N09 | C08 | N07 | 177.5° | 180.0° |
| C10 | N09 | C17 | C06 | 177.4° | 180.0° |
| C10 | N09 | C17 | N18 | 3.2° | 0.3° |
| N09 | C10 | H102 | H101 | 118.8° | 119.9° |
| C10 | N09 | C08 | H081 | 2.5° | 0.1° |
| N09 | C08 | N07 | H081 | 180.0° | 179.9° |
| N09 | C08 | N07 | C06 | 1.0° | 0.3° |
| C08 | N09 | C17 | C06 | 0.8° | 0.4° |
| C08 | N09 | C17 | N18 | 179.7° | 179.9° |
| C08 | N09 | C10 | H102 | 44.7° | 145.0° |
| C08 | N09 | C10 | H101 | 163.9° | 25.1° |
| N07 | C08 | N09 | C17 | 1.2° | 0.4° |
| C08 | N07 | C06 | C17 | 0.5° | 0.0° |
| C08 | N07 | C06 | C04 | 178.8° | 180.0° |
| N09 | C17 | C06 | N07 | 0.2° | 0.2° |
| N09 | C17 | C06 | N18 | 179.5° | 179.8° |
| N09 | C17 | C06 | C04 | 179.6° | 179.8° |
| N09 | C17 | N18 | C02 | 179.4° | 179.7° |
| C17 | N09 | C10 | H102 | 131.2° | 35.5° |
| C17 | N09 | C10 | H101 | 12.0° | 155.4° |
| C17 | N09 | C08 | H081 | 178.8° | 179.7° |
| N07 | C06 | C17 | C04 | 179.4° | 180.0° |
| N07 | C06 | C17 | N18 | 179.7° | 180.0° |
| N07 | C06 | C04 | N05 | 2.4° | 0.0° |
| N07 | C06 | C04 | N03 | 178.9° | 180.0° |
| C06 | N07 | C08 | H081 | 179.0° | 179.8° |
| C06 | C17 | N18 | C02 | 1.2° | 0.0° |
| C17 | C06 | C04 | N05 | 178.4° | 180.0° |
| C17 | C06 | C04 | N03 | 0.3° | 0.0° |
| N18 | C17 | C06 | C04 | 0.8° | 0.0° |
| C17 | N18 | C02 | N03 | 0.4° | 0.0° |
| C17 | N18 | C02 | N01 | 178.3° | 180.0° |
| C06 | C04 | N05 | N03 | 178.7° | 180.0° |
| C06 | C04 | N03 | C02 | 1.1° | 0.1° |
| C06 | C04 | N05 | H052 | 178.7° | 180.0° |
| C06 | C04 | N05 | H051 | 58.7° | 0.0° |
| N18 | C02 | N03 | C04 | 0.8° | 0.1° |
| N18 | C02 | N03 | N01 | 178.7° | 179.9° |
| N18 | C02 | N01 | H012 | 0.0° | 180.0° |
| N18 | C02 | N01 | H011 | 120.0° | 0.1° |
| N05 | C04 | N03 | C02 | 177.6° | 179.9° |
| C04 | N05 | H052 | H051 | 120.0° | 180.0° |
| C04 | N03 | C02 | N01 | 179.5° | 180.0° |
| N03 | C04 | N05 | H052 | 0.0° | 0.0° |
| N03 | C04 | N05 | H051 | 120.0° | 180.0° |
| N03 | C02 | N01 | H012 | 178.7° | 0.1° |
| N03 | C02 | N01 | H011 | 61.2° | 180.0° |
| C02 | N01 | H012 | H011 | 120.0° | 179.9° |
