57N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | S18 | sing | 1.76Å | 1.51Å | Aromatic |
| C17 | C16 | doub | 1.33Å | 1.44Å | Aromatic |
| S18 | C14 | sing | 1.71Å | 1.56Å | Aromatic |
| C16 | N15 | sing | 1.32Å | 1.56Å | Aromatic |
| O13 | C11 | doub | 1.21Å | 1.18Å | |
| C20 | C19 | doub | 1.38Å | 1.52Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.52Å | Aromatic |
| C14 | N15 | doub | 1.30Å | 1.40Å | Aromatic |
| C14 | N12 | sing | 1.39Å | 1.43Å | |
| C19 | C10 | sing | 1.38Å | 1.52Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.51Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.54Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.53Å | Aromatic |
| C24 | C04 | sing | 1.51Å | 1.51Å | |
| C24 | N25 | sing | 1.47Å | 1.48Å | |
| C11 | N12 | sing | 1.35Å | 1.44Å | |
| C11 | C09 | sing | 1.51Å | 1.51Å | |
| C06 | C01 | sing | 1.38Å | 1.50Å | Aromatic |
| C04 | C03 | doub | 1.40Å | 1.45Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| C10 | C23 | doub | 1.38Å | 1.53Å | Aromatic |
| N25 | C09 | sing | 1.47Å | 1.43Å | |
| N25 | C07 | sing | 1.34Å | 1.45Å | |
| C22 | C23 | sing | 1.38Å | 1.52Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.52Å | Aromatic |
| C03 | C07 | sing | 1.48Å | 1.52Å | |
| C03 | C02 | sing | 1.40Å | 1.54Å | Aromatic |
| C07 | O08 | doub | 1.22Å | 1.18Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S18 | C17 | C16 | 109.5° | 108.1° |
| C17 | S18 | C14 | 105.3° | 90.4° |
| S18 | C17 | H8 | 125.3° | 126.0° |
| C17 | C16 | N15 | 107.7° | 114.5° |
| C17 | C16 | H7 | 126.1° | 122.8° |
| C16 | C17 | H8 | 125.3° | 125.9° |
| S18 | C14 | N15 | 109.4° | 110.1° |
| S18 | C14 | N12 | 129.0° | 125.0° |
| C16 | N15 | C14 | 108.1° | 117.0° |
| N15 | C16 | H7 | 126.2° | 122.7° |
| O13 | C11 | N12 | 121.0° | 120.0° |
| O13 | C11 | C09 | 119.7° | 120.0° |
| C19 | C20 | C21 | 119.7° | 120.0° |
| C20 | C19 | C10 | 119.2° | 120.0° |
| C20 | C19 | H9 | 120.4° | 120.0° |
| C19 | C20 | H10 | 120.1° | 120.0° |
| C20 | C21 | C22 | 121.2° | 120.0° |
| C21 | C20 | H10 | 120.1° | 120.0° |
| C20 | C21 | H11 | 119.4° | 120.0° |
| N15 | C14 | N12 | 121.4° | 125.0° |
| C14 | N12 | C11 | 120.2° | 120.0° |
| C14 | N12 | H6 | 119.9° | 120.0° |
| C19 | C10 | C09 | 118.4° | 120.0° |
| C19 | C10 | C23 | 121.4° | 120.0° |
| C10 | C19 | H9 | 120.4° | 120.0° |
| C06 | C05 | C04 | 119.5° | 119.9° |
| C05 | C06 | C01 | 119.8° | 120.2° |
| C06 | C05 | H3 | 120.2° | 120.0° |
| C05 | C06 | H4 | 120.1° | 119.9° |
| C05 | C04 | C24 | 131.1° | 133.2° |
| C05 | C04 | C03 | 120.9° | 120.4° |
| C04 | C05 | H3 | 120.3° | 120.0° |
| C21 | C22 | C23 | 119.3° | 120.0° |
| C22 | C21 | H11 | 119.4° | 120.0° |
| C21 | C22 | H12 | 120.4° | 120.0° |
| C04 | C24 | N25 | 107.3° | 106.3° |
| C24 | C04 | C03 | 108.0° | 106.4° |
| C04 | C24 | H14 | 110.0° | 110.1° |
| C04 | C24 | H15 | 110.0° | 110.1° |
| C24 | N25 | C09 | 127.9° | 125.6° |
| C24 | N25 | C07 | 109.2° | 108.7° |
| N25 | C24 | H14 | 110.0° | 110.1° |
| N25 | C24 | H15 | 110.0° | 110.1° |
| N12 | C11 | C09 | 119.3° | 120.0° |
| C11 | N12 | H6 | 119.9° | 120.0° |
| C11 | C09 | C10 | 107.4° | 109.5° |
| C11 | C09 | N25 | 108.8° | 109.5° |
| C11 | C09 | H5 | 110.1° | 109.5° |
| C06 | C01 | C02 | 120.6° | 120.4° |
| C06 | C01 | H1 | 119.7° | 119.8° |
| C01 | C06 | H4 | 120.1° | 119.9° |
| C04 | C03 | C07 | 108.0° | 108.3° |
| C04 | C03 | C02 | 120.2° | 119.4° |
| C09 | C10 | C23 | 120.2° | 120.0° |
| C10 | C09 | N25 | 108.8° | 109.5° |
| C10 | C09 | H5 | 110.2° | 109.5° |
| C10 | C23 | C22 | 119.2° | 120.0° |
| C10 | C23 | H13 | 120.4° | 120.0° |
| C09 | N25 | C07 | 122.8° | 125.6° |
| N25 | C09 | H5 | 111.3° | 109.4° |
| N25 | C07 | C03 | 107.5° | 110.3° |
| N25 | C07 | O08 | 123.6° | 124.8° |
| C23 | C22 | H12 | 120.3° | 120.0° |
| C22 | C23 | H13 | 120.4° | 120.0° |
| C01 | C02 | C03 | 119.0° | 119.8° |
| C02 | C01 | H1 | 119.7° | 119.8° |
| C01 | C02 | H2 | 120.5° | 120.1° |
| C07 | C03 | C02 | 131.8° | 132.3° |
| C03 | C07 | O08 | 128.9° | 124.9° |
| C03 | C02 | H2 | 120.5° | 120.1° |
| H14 | C24 | H15 | 109.4° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S18 | C17 | C16 | H8 | 180.0° | 179.7° |
| S18 | C17 | C16 | N15 | 0.3° | 0.3° |
| C17 | S18 | C14 | N15 | 1.7° | 0.3° |
| C17 | S18 | C14 | N12 | 177.1° | 180.0° |
| S18 | C17 | C16 | H7 | 179.7° | 179.8° |
| C16 | C17 | S18 | C14 | 1.1° | 0.3° |
| C17 | C16 | N15 | H7 | 180.0° | 179.9° |
| C17 | C16 | N15 | C14 | 0.8° | 0.0° |
| S18 | C14 | N15 | C16 | 1.5° | 0.3° |
| S18 | C14 | N15 | N12 | 175.8° | 179.7° |
| S18 | C14 | N12 | C11 | 3.0° | 0.3° |
| S18 | C14 | N12 | H6 | 177.0° | 179.7° |
| C14 | S18 | C17 | H8 | 178.9° | 179.9° |
| C16 | N15 | C14 | N12 | 177.4° | 180.0° |
| N15 | C16 | C17 | H8 | 179.7° | 180.0° |
| O13 | C11 | N12 | C14 | 3.5° | 0.0° |
| O13 | C11 | N12 | C09 | 178.6° | 180.0° |
| O13 | C11 | C09 | C10 | 85.2° | 120.0° |
| O13 | C11 | C09 | N25 | 32.5° | 0.0° |
| O13 | C11 | C09 | H5 | 154.8° | 120.0° |
| O13 | C11 | N12 | H6 | 176.5° | 180.0° |
| C19 | C20 | C21 | H10 | 180.0° | 180.0° |
| C20 | C19 | C10 | H9 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | C10 | C09 | 179.7° | 179.9° |
| C20 | C19 | C10 | C23 | 0.1° | 0.3° |
| C19 | C20 | C21 | H11 | 179.9° | 180.0° |
| C21 | C20 | C19 | C10 | 0.0° | 0.0° |
| C20 | C21 | C22 | H11 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.2° |
| C21 | C20 | C19 | H9 | 180.0° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 179.9° |
| N15 | C14 | N12 | C11 | 178.0° | 180.0° |
| N15 | C14 | N12 | H6 | 2.0° | 0.0° |
| C14 | N15 | C16 | H7 | 179.2° | 179.9° |
| C14 | N12 | C11 | H6 | 180.0° | 180.0° |
| C14 | N12 | C11 | C09 | 177.9° | 180.0° |
| C19 | C10 | C09 | C11 | 2.9° | 62.6° |
| C19 | C10 | C09 | C23 | 179.6° | 179.8° |
| C19 | C10 | C09 | N25 | 120.6° | 57.4° |
| C19 | C10 | C23 | C22 | 0.2° | 0.5° |
| C19 | C10 | C09 | H5 | 117.1° | 177.4° |
| C10 | C19 | C20 | H10 | 180.0° | 180.0° |
| C19 | C10 | C23 | H13 | 179.8° | 179.7° |
| C06 | C05 | C04 | H3 | 180.0° | 179.4° |
| C06 | C05 | C04 | C24 | 179.6° | 179.7° |
| C05 | C06 | C01 | H4 | 180.0° | 179.4° |
| C06 | C05 | C04 | C03 | 0.3° | 0.3° |
| C05 | C06 | C01 | C02 | 0.1° | 0.6° |
| C05 | C06 | C01 | H1 | 179.9° | 179.7° |
| C05 | C04 | C24 | C03 | 180.0° | 180.0° |
| C05 | C04 | C24 | N25 | 179.5° | 180.0° |
| C04 | C05 | C06 | C01 | 0.0° | 0.6° |
| C05 | C04 | C03 | C07 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C04 | C05 | C06 | H4 | 180.0° | 180.0° |
| C05 | C04 | C24 | H14 | 60.9° | 60.8° |
| C05 | C04 | C24 | H15 | 59.8° | 60.8° |
| C21 | C22 | C23 | C10 | 0.2° | 0.4° |
| C21 | C22 | C23 | H12 | 180.0° | 179.9° |
| C22 | C21 | C20 | H10 | 179.9° | 180.0° |
| C21 | C22 | C23 | H13 | 179.9° | 179.8° |
| C04 | C24 | N25 | H14 | 119.7° | 119.2° |
| C04 | C24 | N25 | H15 | 119.7° | 119.2° |
| C04 | C24 | N25 | C09 | 179.9° | 180.0° |
| C04 | C24 | N25 | C07 | 0.9° | 0.0° |
| C24 | C04 | C03 | C07 | 0.0° | 0.0° |
| C24 | C04 | C03 | C02 | 179.4° | 180.0° |
| C24 | C04 | C05 | H3 | 0.4° | 0.3° |
| C04 | C24 | H14 | H15 | 121.0° | 121.6° |
| C24 | N25 | C09 | C11 | 82.0° | 64.1° |
| N25 | C24 | C04 | C03 | 0.6° | 0.0° |
| C24 | N25 | C09 | C10 | 34.8° | 55.9° |
| C24 | N25 | C09 | C07 | 178.8° | 180.0° |
| C24 | N25 | C07 | C03 | 0.9° | 0.0° |
| C24 | N25 | C07 | O08 | 179.3° | 180.0° |
| C24 | N25 | C09 | H5 | 156.4° | 175.9° |
| N25 | C24 | H14 | H15 | 121.0° | 121.6° |
| N12 | C11 | C09 | C10 | 96.2° | 60.0° |
| N12 | C11 | C09 | N25 | 146.1° | 180.0° |
| N12 | C11 | C09 | H5 | 23.8° | 60.0° |
| C11 | C09 | C10 | N25 | 117.7° | 120.0° |
| C11 | C09 | C10 | H5 | 120.0° | 120.0° |
| C11 | C09 | C10 | C23 | 177.5° | 117.7° |
| C11 | C09 | N25 | H5 | 121.6° | 120.0° |
| C11 | C09 | N25 | C07 | 96.8° | 115.8° |
| C09 | C11 | N12 | H6 | 2.2° | 0.0° |
| C06 | C01 | C02 | H1 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.2° | 0.2° |
| C06 | C01 | C02 | H2 | 179.8° | 179.7° |
| C01 | C06 | C05 | H3 | 180.0° | 180.0° |
| C04 | C03 | C07 | N25 | 0.6° | 0.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.1° |
| C04 | C03 | C07 | C02 | 179.3° | 180.0° |
| C04 | C03 | C07 | O08 | 179.7° | 180.0° |
| C04 | C03 | C02 | H2 | 179.5° | 180.0° |
| C03 | C04 | C05 | H3 | 179.7° | 179.7° |
| C03 | C04 | C24 | H14 | 119.1° | 119.2° |
| C03 | C04 | C24 | H15 | 120.2° | 119.2° |
| C10 | C09 | N25 | H5 | 121.6° | 120.0° |
| C10 | C09 | N25 | C07 | 146.4° | 124.1° |
| C09 | C10 | C23 | C22 | 179.8° | 179.7° |
| C09 | C10 | C19 | H9 | 0.2° | 0.0° |
| C09 | C10 | C23 | H13 | 0.2° | 0.0° |
| C23 | C10 | C09 | N25 | 59.8° | 122.3° |
| C10 | C23 | C22 | H13 | 180.0° | 179.8° |
| C23 | C10 | C09 | H5 | 62.5° | 2.4° |
| C23 | C10 | C19 | H9 | 179.9° | 179.8° |
| C10 | C23 | C22 | H12 | 179.8° | 179.7° |
| C09 | N25 | C07 | C03 | 179.9° | 180.0° |
| C09 | N25 | C07 | O08 | 0.3° | 0.0° |
| C09 | N25 | C24 | H14 | 60.2° | 60.8° |
| C09 | N25 | C24 | H15 | 60.4° | 60.8° |
| N25 | C07 | C03 | O08 | 179.8° | 180.0° |
| N25 | C07 | C03 | C02 | 179.9° | 180.0° |
| C07 | N25 | C09 | H5 | 24.7° | 4.1° |
| C07 | N25 | C24 | H14 | 118.7° | 119.2° |
| C07 | N25 | C24 | H15 | 120.6° | 119.2° |
| C23 | C22 | C21 | H11 | 180.0° | 179.8° |
| C01 | C02 | C03 | C07 | 179.7° | 180.0° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C02 | C01 | C06 | H4 | 179.9° | 180.0° |
| C07 | C03 | C02 | H2 | 0.3° | 0.0° |
| C02 | C03 | C07 | O08 | 0.4° | 0.0° |
| C03 | C02 | C01 | H1 | 179.8° | 179.9° |
| H1 | C01 | C02 | H2 | 0.2° | 0.0° |
| H1 | C01 | C06 | H4 | 0.1° | 0.3° |
| H3 | C05 | C06 | H4 | 0.0° | 0.6° |
| H7 | C16 | C17 | H8 | 0.3° | 0.1° |
| H9 | C19 | C20 | H10 | 0.0° | 0.0° |
| H10 | C20 | C21 | H11 | 0.1° | 0.1° |
| H11 | C21 | C22 | H12 | 0.0° | 0.0° |
| H12 | C22 | C23 | H13 | 0.2° | 0.1° |
