N92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S20 | C19 | sing | 1.76Å | 1.72Å | Aromatic |
| S20 | C09 | sing | 1.76Å | 1.75Å | Aromatic |
| C19 | C11 | doub | 1.34Å | 1.37Å | Aromatic |
| N08 | C09 | sing | 1.39Å | 1.37Å | |
| N08 | C07 | sing | 1.39Å | 1.43Å | |
| C09 | N10 | doub | 1.30Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.36Å | 1.40Å | Aromatic |
| C07 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.33Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.46Å | |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.47Å | 1.53Å | |
| C22 | O23 | sing | 1.36Å | 1.37Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.27Å | |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | CL1 | sing | 1.74Å | 1.73Å | |
| C02 | O03 | sing | 1.35Å | 1.25Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| O03 | H3 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | S20 | C09 | 90.2° | 90.0° |
| S20 | C19 | C11 | 111.0° | 108.2° |
| S20 | C19 | H191 | 124.5° | 125.8° |
| S20 | C09 | N08 | 123.9° | 125.3° |
| S20 | C09 | N10 | 112.9° | 109.4° |
| C19 | C11 | N10 | 115.5° | 115.4° |
| C19 | C11 | C12 | 124.0° | 122.2° |
| C11 | C19 | H191 | 124.5° | 125.9° |
| C09 | N08 | C07 | 131.0° | 120.0° |
| N08 | C09 | N10 | 121.7° | 125.3° |
| C09 | N08 | H081 | 114.5° | 120.0° |
| N08 | C07 | C06 | 120.8° | 119.9° |
| N08 | C07 | C21 | 120.2° | 119.9° |
| C07 | N08 | H081 | 114.5° | 119.9° |
| C09 | N10 | C11 | 109.0° | 117.0° |
| C07 | C06 | C05 | 120.1° | 120.3° |
| C06 | C07 | C21 | 118.0° | 120.3° |
| C07 | C06 | H061 | 119.9° | 119.8° |
| C06 | C05 | C04 | 122.0° | 120.1° |
| C06 | C05 | H051 | 119.0° | 119.9° |
| C05 | C06 | H061 | 120.0° | 119.9° |
| C07 | C21 | C22 | 119.9° | 119.9° |
| C07 | C21 | H211 | 120.0° | 120.1° |
| N10 | C11 | C12 | 120.2° | 122.3° |
| C11 | C12 | C13 | 122.0° | 120.1° |
| C11 | C12 | C18 | 119.6° | 120.1° |
| C05 | C04 | C22 | 116.6° | 119.7° |
| C05 | C04 | C02 | 120.5° | 120.1° |
| C04 | C05 | H051 | 119.0° | 120.0° |
| C12 | C13 | C14 | 121.1° | 119.9° |
| C13 | C12 | C18 | 118.3° | 119.8° |
| C12 | C13 | H131 | 119.5° | 120.1° |
| C13 | C14 | C15 | 118.7° | 120.1° |
| C14 | C13 | H131 | 119.4° | 120.1° |
| C13 | C14 | H141 | 120.7° | 119.9° |
| C12 | C18 | C17 | 121.5° | 119.9° |
| C12 | C18 | H181 | 119.3° | 120.1° |
| C21 | C22 | C04 | 122.7° | 119.7° |
| C21 | C22 | O23 | 119.3° | 120.2° |
| C22 | C21 | H211 | 120.1° | 120.0° |
| C14 | C15 | C17 | 122.1° | 120.2° |
| C14 | C15 | CL1 | 119.2° | 119.9° |
| C15 | C14 | H141 | 120.7° | 119.9° |
| C22 | C04 | C02 | 122.7° | 120.2° |
| C04 | C22 | O23 | 117.7° | 120.1° |
| C04 | C02 | O01 | 116.5° | 120.0° |
| C04 | C02 | O03 | 117.0° | 120.0° |
| C22 | O23 | H231 | 109.5° | 114.1° |
| C18 | C17 | C15 | 118.3° | 120.1° |
| C18 | C17 | H171 | 120.9° | 119.9° |
| C17 | C18 | H181 | 119.3° | 120.1° |
| O01 | C02 | O03 | 126.4° | 119.9° |
| C17 | C15 | CL1 | 118.7° | 119.9° |
| C15 | C17 | H171 | 120.8° | 119.9° |
| C02 | O03 | H3 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S20 | C19 | C11 | H191 | 180.0° | 179.4° |
| C19 | S20 | C09 | N08 | 177.3° | 179.8° |
| C19 | S20 | C09 | N10 | 11.1° | 0.1° |
| S20 | C19 | C11 | N10 | 0.9° | 0.4° |
| S20 | C19 | C11 | C12 | 173.1° | 179.9° |
| C09 | S20 | C19 | C11 | 6.6° | 0.3° |
| S20 | C09 | N08 | N10 | 165.1° | 179.8° |
| S20 | C09 | N08 | C07 | 154.7° | 6.7° |
| S20 | C09 | N10 | C11 | 12.1° | 0.2° |
| C09 | S20 | C19 | H191 | 173.4° | 179.7° |
| S20 | C09 | N08 | H081 | 25.4° | 173.3° |
| C19 | C11 | N10 | C09 | 7.2° | 0.4° |
| C19 | C11 | N10 | C12 | 174.2° | 179.5° |
| C19 | C11 | C12 | C13 | 0.9° | 0.8° |
| C19 | C11 | C12 | C18 | 177.4° | 179.5° |
| C09 | N08 | C07 | H081 | 180.0° | 180.0° |
| C09 | N08 | C07 | C06 | 154.3° | 143.9° |
| C09 | N08 | C07 | C21 | 13.8° | 36.1° |
| N08 | C09 | N10 | C11 | 178.8° | 180.0° |
| C07 | N08 | C09 | N10 | 10.5° | 173.5° |
| N08 | C07 | C06 | C21 | 168.4° | 180.0° |
| N08 | C07 | C06 | C05 | 177.0° | 180.0° |
| N08 | C07 | C21 | C22 | 173.3° | 180.0° |
| N08 | C07 | C06 | H061 | 3.0° | 0.0° |
| N08 | C07 | C21 | H211 | 6.7° | 0.1° |
| C09 | N10 | C11 | C12 | 178.5° | 179.9° |
| N10 | C09 | N08 | H081 | 169.5° | 6.5° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 8.4° | 0.0° |
| C06 | C07 | C21 | C22 | 4.8° | 0.0° |
| C07 | C06 | C05 | H051 | 171.6° | 180.0° |
| C06 | C07 | C21 | H211 | 175.2° | 179.9° |
| C06 | C07 | N08 | H081 | 25.7° | 36.1° |
| C05 | C06 | C07 | C21 | 8.6° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C22 | 4.0° | 0.1° |
| C06 | C05 | C04 | C02 | 170.7° | 179.7° |
| C07 | C21 | C22 | H211 | 180.0° | 179.9° |
| C07 | C21 | C22 | C04 | 0.6° | 0.0° |
| C07 | C21 | C22 | O23 | 174.9° | 179.8° |
| C21 | C07 | C06 | H061 | 171.4° | 180.0° |
| C21 | C07 | N08 | H081 | 166.2° | 144.0° |
| N10 | C11 | C12 | C13 | 172.8° | 179.7° |
| N10 | C11 | C12 | C18 | 3.7° | 0.0° |
| N10 | C11 | C19 | H191 | 179.1° | 179.9° |
| C11 | C12 | C13 | C18 | 176.5° | 179.7° |
| C11 | C12 | C13 | C14 | 178.4° | 180.0° |
| C11 | C12 | C18 | C17 | 177.9° | 179.7° |
| C11 | C12 | C13 | H131 | 1.7° | 0.1° |
| C11 | C12 | C18 | H181 | 2.1° | 0.0° |
| C12 | C11 | C19 | H191 | 7.0° | 0.6° |
| C05 | C04 | C22 | C21 | 0.1° | 0.1° |
| C05 | C04 | C22 | C02 | 174.7° | 179.7° |
| C05 | C04 | C22 | O23 | 174.5° | 179.8° |
| C05 | C04 | C02 | O01 | 8.5° | 179.4° |
| C05 | C04 | C02 | O03 | 175.7° | 0.3° |
| C04 | C05 | C06 | H061 | 171.6° | 180.0° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 2.1° | 0.0° |
| C13 | C12 | C18 | C17 | 1.3° | 0.6° |
| C12 | C13 | C14 | H141 | 177.9° | 180.0° |
| C13 | C12 | C18 | H181 | 178.7° | 179.7° |
| C14 | C13 | C12 | C18 | 1.9° | 0.3° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C17 | 1.8° | 0.0° |
| C13 | C14 | C15 | CL1 | 178.4° | 180.0° |
| C12 | C18 | C17 | H181 | 180.0° | 179.7° |
| C12 | C18 | C17 | C15 | 1.0° | 0.6° |
| C18 | C12 | C13 | H131 | 178.2° | 179.8° |
| C12 | C18 | C17 | H171 | 179.0° | 179.7° |
| C21 | C22 | C04 | O23 | 174.4° | 179.8° |
| C21 | C22 | C04 | C02 | 174.5° | 179.7° |
| C21 | C22 | O23 | H231 | 180.0° | 90.1° |
| C14 | C15 | C17 | C18 | 1.3° | 0.3° |
| C14 | C15 | C17 | CL1 | 179.7° | 179.9° |
| C15 | C14 | C13 | H131 | 177.9° | 180.0° |
| C14 | C15 | C17 | H171 | 178.7° | 180.0° |
| C22 | C04 | C02 | O01 | 165.9° | 0.2° |
| C22 | C04 | C02 | O03 | 9.9° | 180.0° |
| C22 | C04 | C05 | H051 | 176.0° | 180.0° |
| C04 | C22 | C21 | H211 | 179.4° | 179.8° |
| C04 | C22 | O23 | H231 | 5.4° | 90.0° |
| C02 | C04 | C22 | O23 | 0.1° | 0.1° |
| C04 | C02 | O01 | O03 | 175.4° | 179.7° |
| C02 | C04 | C05 | H051 | 9.2° | 0.3° |
| C04 | C02 | O03 | H3 | 175.3° | 180.0° |
| O23 | C22 | C21 | H211 | 5.1° | 0.3° |
| C18 | C17 | C15 | H171 | 180.0° | 179.7° |
| C18 | C17 | C15 | CL1 | 179.0° | 179.8° |
| O01 | C02 | O03 | H3 | 0.0° | 0.3° |
| C17 | C15 | C14 | H141 | 178.1° | 180.0° |
| C15 | C17 | C18 | H181 | 178.9° | 179.7° |
| CL1 | C15 | C14 | H141 | 1.6° | 0.1° |
| CL1 | C15 | C17 | H171 | 1.0° | 0.1° |
| H051 | C05 | C06 | H061 | 8.4° | 0.0° |
| H131 | C13 | C14 | H141 | 2.1° | 0.1° |
| H171 | C17 | C18 | H181 | 1.1° | 0.0° |
