07N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| CL1 | C4 | sing | 1.74Å | 1.74Å | |
| C2 | C3 | doub | 1.36Å | 1.35Å | Aromatic |
| C2 | N6 | sing | 1.36Å | 1.35Å | Aromatic |
| CL2 | C3 | sing | 1.74Å | 1.73Å | |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | N6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C8 | sing | 1.47Å | 1.46Å | |
| N10 | C8 | sing | 1.35Å | 1.35Å | |
| C8 | O9 | doub | 1.22Å | 1.22Å | |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C17 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N15 | C14 | sing | 1.47Å | 1.47Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C20 | N15 | sing | 1.38Å | 1.38Å | |
| C16 | N15 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| F19 | C17 | sing | 1.40Å | 1.40Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| N21 | C20 | doub | 1.30Å | 1.31Å | Aromatic |
| C20 | S24 | sing | 1.71Å | 1.71Å | Aromatic |
| C22 | N21 | sing | 1.31Å | 1.31Å | Aromatic |
| C22 | C23 | doub | 1.37Å | 1.37Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | sing | 1.42Å | 1.42Å | |
| C23 | S24 | sing | 1.76Å | 1.76Å | Aromatic |
| O26 | C25 | doub | 1.22Å | 1.22Å | |
| C25 | O27 | sing | 1.35Å | 1.35Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | C3 | 126.6° | 125.5° |
| C1 | C2 | N6 | 124.7° | 125.6° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.4° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| CL1 | C4 | C3 | 123.9° | 126.5° |
| CL1 | C4 | C5 | 129.5° | 126.4° |
| C3 | C2 | N6 | 108.7° | 108.9° |
| C2 | C3 | CL2 | 127.4° | 126.1° |
| C2 | C3 | C4 | 108.3° | 107.8° |
| C2 | N6 | C5 | 108.8° | 108.6° |
| C2 | N6 | HN6 | 125.6° | 125.7° |
| CL2 | C3 | C4 | 124.3° | 126.1° |
| C3 | C4 | C5 | 106.7° | 107.1° |
| C4 | C5 | N6 | 107.5° | 107.5° |
| C4 | C5 | C8 | 129.5° | 126.2° |
| N6 | C5 | C8 | 123.0° | 126.2° |
| C5 | N6 | HN6 | 125.6° | 125.7° |
| C5 | C8 | N10 | 120.9° | 120.0° |
| C5 | C8 | O9 | 117.5° | 120.0° |
| N10 | C8 | O9 | 121.6° | 120.0° |
| C8 | N10 | C11 | 122.6° | 120.0° |
| C8 | N10 | HN10 | 118.7° | 120.0° |
| C11 | N10 | HN10 | 118.7° | 120.0° |
| N10 | C11 | C17 | 107.5° | 109.5° |
| N10 | C11 | C13 | 110.3° | 109.5° |
| N10 | C11 | H11 | 110.7° | 109.5° |
| C17 | C11 | C13 | 110.7° | 109.2° |
| C17 | C11 | H11 | 110.3° | 109.6° |
| C11 | C17 | C16 | 111.3° | 109.3° |
| C11 | C17 | F19 | 107.8° | 109.5° |
| C11 | C17 | H17 | 109.3° | 109.5° |
| C13 | C11 | H11 | 107.4° | 109.5° |
| C11 | C13 | C14 | 109.4° | 109.3° |
| C11 | C13 | H13 | 109.5° | 109.5° |
| C11 | C13 | H13A | 109.5° | 109.4° |
| C14 | C13 | H13 | 109.5° | 109.5° |
| C14 | C13 | H13A | 109.5° | 109.5° |
| C13 | C14 | N15 | 107.6° | 109.5° |
| C13 | C14 | H14 | 110.1° | 109.4° |
| C13 | C14 | H14A | 110.1° | 109.5° |
| H13 | C13 | H13A | 109.4° | 109.6° |
| N15 | C14 | H14 | 110.1° | 109.5° |
| N15 | C14 | H14A | 110.1° | 109.5° |
| C14 | N15 | C20 | 118.4° | 111.0° |
| C14 | N15 | C16 | 116.8° | 111.2° |
| H14 | C14 | H14A | 108.8° | 109.5° |
| C20 | N15 | C16 | 120.9° | 111.0° |
| N15 | C20 | N21 | 125.6° | 124.7° |
| N15 | C20 | S24 | 124.0° | 124.7° |
| N15 | C16 | C17 | 107.4° | 109.5° |
| N15 | C16 | H16 | 110.2° | 109.5° |
| N15 | C16 | H16A | 110.2° | 109.5° |
| C17 | C16 | H16 | 110.2° | 109.5° |
| C17 | C16 | H16A | 110.2° | 109.4° |
| C16 | C17 | F19 | 109.3° | 109.5° |
| C16 | C17 | H17 | 107.8° | 109.5° |
| H16 | C16 | H16A | 108.7° | 109.4° |
| F19 | C17 | H17 | 111.3° | 109.6° |
| N21 | C20 | S24 | 110.4° | 110.5° |
| C20 | N21 | C22 | 117.2° | 117.2° |
| C20 | S24 | C23 | 90.6° | 90.4° |
| N21 | C22 | C23 | 113.9° | 114.0° |
| N21 | C22 | H22 | 123.1° | 123.0° |
| C23 | C22 | H22 | 123.1° | 123.0° |
| C22 | C23 | C25 | 127.6° | 126.1° |
| C22 | C23 | S24 | 108.0° | 107.8° |
| C25 | C23 | S24 | 124.5° | 126.1° |
| C23 | C25 | O26 | 120.9° | 120.0° |
| C23 | C25 | O27 | 119.1° | 120.0° |
| O26 | C25 | O27 | 120.0° | 120.1° |
| C25 | O27 | HO27 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.1° |
| C1 | C2 | C3 | N6 | 180.0° | 179.6° |
| C1 | C2 | C3 | CL2 | 0.0° | 0.1° |
| C1 | C2 | C3 | C4 | 179.8° | 179.9° |
| C1 | C2 | N6 | C5 | 179.8° | 179.9° |
| C1 | C2 | N6 | HN6 | 0.2° | 0.1° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 90.0° | 90.1° |
| H1 | C1 | C2 | N6 | 90.0° | 90.4° |
| H1A | C1 | C2 | C3 | 150.0° | 150.0° |
| H1A | C1 | C2 | N6 | 30.0° | 29.6° |
| H1B | C1 | C2 | C3 | 30.0° | 29.9° |
| H1B | C1 | C2 | N6 | 150.1° | 149.7° |
| CL1 | C4 | C3 | C2 | 179.7° | 180.0° |
| CL1 | C4 | C3 | CL2 | 0.5° | 0.0° |
| CL1 | C4 | C3 | C5 | 179.5° | 180.0° |
| CL1 | C4 | C5 | N6 | 179.5° | 179.7° |
| CL1 | C4 | C5 | C8 | 0.6° | 0.0° |
| C2 | C3 | CL2 | C4 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | N6 | C5 | 0.3° | 0.4° |
| C3 | C2 | N6 | HN6 | 179.8° | 179.8° |
| N6 | C2 | C3 | CL2 | 179.9° | 179.7° |
| N6 | C2 | C3 | C4 | 0.3° | 0.3° |
| C2 | N6 | C5 | C4 | 0.2° | 0.4° |
| C2 | N6 | C5 | HN6 | 180.0° | 179.8° |
| C2 | N6 | C5 | C8 | 179.8° | 179.8° |
| CL2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C3 | C4 | C5 | N6 | 0.0° | 0.3° |
| C3 | C4 | C5 | C8 | 180.0° | 180.0° |
| C4 | C5 | N6 | C8 | 180.0° | 179.7° |
| C4 | C5 | C8 | N10 | 3.3° | 180.0° |
| C4 | C5 | C8 | O9 | 177.2° | 0.0° |
| C4 | C5 | N6 | HN6 | 179.9° | 179.8° |
| N6 | C5 | C8 | N10 | 176.7° | 0.3° |
| N6 | C5 | C8 | O9 | 2.8° | 179.7° |
| C5 | C8 | N10 | O9 | 179.5° | 180.0° |
| C5 | C8 | N10 | C11 | 179.9° | 180.0° |
| C5 | C8 | N10 | HN10 | 0.1° | 0.0° |
| C8 | C5 | N6 | HN6 | 0.2° | 0.0° |
| C8 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C8 | N10 | C11 | C17 | 168.2° | 85.3° |
| C8 | N10 | C11 | C13 | 71.1° | 155.0° |
| C8 | N10 | C11 | H11 | 47.7° | 34.8° |
| O9 | C8 | N10 | C11 | 0.4° | 0.0° |
| O9 | C8 | N10 | HN10 | 179.6° | 180.0° |
| N10 | C11 | C17 | C13 | 120.5° | 119.9° |
| N10 | C11 | C17 | H11 | 120.7° | 120.1° |
| N10 | C11 | C13 | H11 | 120.7° | 120.1° |
| N10 | C11 | C13 | C14 | 175.5° | 177.5° |
| N10 | C11 | C13 | H13 | 55.5° | 57.6° |
| N10 | C11 | C13 | H13A | 64.4° | 62.5° |
| N10 | C11 | C17 | C16 | 176.1° | 177.6° |
| N10 | C11 | C17 | F19 | 56.2° | 57.7° |
| N10 | C11 | C17 | H17 | 64.9° | 62.5° |
| HN10 | N10 | C11 | C17 | 11.8° | 94.7° |
| HN10 | N10 | C11 | C13 | 108.9° | 25.0° |
| HN10 | N10 | C11 | H11 | 132.3° | 145.1° |
| C17 | C11 | C13 | H11 | 120.4° | 120.0° |
| C17 | C11 | C13 | C14 | 56.7° | 57.6° |
| C17 | C11 | C13 | H13 | 63.3° | 62.3° |
| C17 | C11 | C13 | H13A | 176.8° | 177.6° |
| C11 | C17 | C16 | N15 | 53.7° | 59.2° |
| C11 | C17 | C16 | F19 | 119.0° | 119.9° |
| C11 | C17 | C16 | H17 | 119.9° | 120.0° |
| C11 | C17 | C16 | H16 | 173.8° | 179.2° |
| C11 | C17 | C16 | H16A | 66.2° | 60.9° |
| C11 | C17 | F19 | H17 | 119.9° | 120.1° |
| C11 | C13 | C14 | H13 | 120.0° | 119.9° |
| C11 | C13 | C14 | H13A | 120.0° | 119.9° |
| C11 | C13 | H13 | H13A | 120.0° | 120.1° |
| C11 | C13 | C14 | N15 | 57.0° | 59.2° |
| C11 | C13 | C14 | H14 | 177.0° | 179.2° |
| C11 | C13 | C14 | H14A | 63.0° | 60.8° |
| C13 | C11 | C17 | C16 | 55.6° | 57.6° |
| C13 | C11 | C17 | F19 | 64.3° | 62.3° |
| C13 | C11 | C17 | H17 | 174.6° | 177.6° |
| H11 | C11 | C13 | C14 | 63.7° | 62.3° |
| H11 | C11 | C13 | H13 | 176.3° | 177.8° |
| H11 | C11 | C13 | H13A | 56.3° | 57.6° |
| H11 | C11 | C17 | C16 | 63.2° | 62.3° |
| H11 | C11 | C17 | F19 | 177.0° | 177.8° |
| H11 | C11 | C17 | H17 | 55.8° | 57.6° |
| C14 | C13 | H13 | H13A | 120.0° | 120.2° |
| C13 | C14 | N15 | H14 | 120.0° | 120.0° |
| C13 | C14 | N15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 120.7° | 119.9° |
| C13 | C14 | N15 | C20 | 140.3° | 174.2° |
| C13 | C14 | N15 | C16 | 61.7° | 61.8° |
| H13 | C13 | C14 | N15 | 63.0° | 60.7° |
| H13 | C13 | C14 | H14 | 57.0° | 59.3° |
| H13 | C13 | C14 | H14A | 177.0° | 179.3° |
| H13A | C13 | C14 | N15 | 177.0° | 179.1° |
| H13A | C13 | C14 | H14 | 63.0° | 60.9° |
| H13A | C13 | C14 | H14A | 57.0° | 59.0° |
| N15 | C14 | H14 | H14A | 120.8° | 120.0° |
| C14 | N15 | C20 | C16 | 157.0° | 124.2° |
| C14 | N15 | C16 | C17 | 59.4° | 61.7° |
| C14 | N15 | C16 | H16 | 179.4° | 178.2° |
| C14 | N15 | C16 | H16A | 60.6° | 58.2° |
| C14 | N15 | C20 | N21 | 175.4° | 0.3° |
| C14 | N15 | C20 | S24 | 3.2° | 180.0° |
| H14 | C14 | N15 | C20 | 20.3° | 54.2° |
| H14 | C14 | N15 | C16 | 178.2° | 178.2° |
| H14A | C14 | N15 | C20 | 99.7° | 65.8° |
| H14A | C14 | N15 | C16 | 58.2° | 58.3° |
| C20 | N15 | C16 | C17 | 143.2° | 174.2° |
| C20 | N15 | C16 | H16 | 23.2° | 54.1° |
| C20 | N15 | C16 | H16A | 96.8° | 65.8° |
| N15 | C20 | N21 | S24 | 178.8° | 179.7° |
| N15 | C20 | N21 | C22 | 179.1° | 180.0° |
| N15 | C20 | S24 | C23 | 179.0° | 179.9° |
| N15 | C16 | C17 | H16 | 120.0° | 120.1° |
| N15 | C16 | C17 | H16A | 120.0° | 120.0° |
| N15 | C16 | H16 | H16A | 120.8° | 120.0° |
| N15 | C16 | C17 | F19 | 65.3° | 60.7° |
| N15 | C16 | C17 | H17 | 173.6° | 179.1° |
| C16 | N15 | C20 | N21 | 27.6° | 123.9° |
| C16 | N15 | C20 | S24 | 153.8° | 55.8° |
| C17 | C16 | H16 | H16A | 120.9° | 119.9° |
| C16 | C17 | F19 | H17 | 119.0° | 120.1° |
| H16 | C16 | C17 | F19 | 54.8° | 59.3° |
| H16 | C16 | C17 | H17 | 66.3° | 60.8° |
| H16A | C16 | C17 | F19 | 174.7° | 179.2° |
| H16A | C16 | C17 | H17 | 53.6° | 59.1° |
| C20 | N21 | C22 | C23 | 0.3° | 0.0° |
| C20 | N21 | C22 | H22 | 179.7° | 180.0° |
| N21 | C20 | S24 | C23 | 0.1° | 0.3° |
| S24 | C20 | N21 | C22 | 0.3° | 0.2° |
| C20 | S24 | C23 | C22 | 0.0° | 0.3° |
| C20 | S24 | C23 | C25 | 179.8° | 179.9° |
| N21 | C22 | C23 | H22 | 180.0° | 179.9° |
| N21 | C22 | C23 | C25 | 179.6° | 180.0° |
| N21 | C22 | C23 | S24 | 0.1° | 0.3° |
| C22 | C23 | C25 | S24 | 179.8° | 179.7° |
| C22 | C23 | C25 | O26 | 0.7° | 180.0° |
| C22 | C23 | C25 | O27 | 179.7° | 0.0° |
| H22 | C22 | C23 | C25 | 0.4° | 0.0° |
| H22 | C22 | C23 | S24 | 179.8° | 179.8° |
| C23 | C25 | O26 | O27 | 179.0° | 180.0° |
| C23 | C25 | O27 | HO27 | 179.0° | 180.0° |
| S24 | C23 | C25 | O26 | 179.0° | 0.3° |
| S24 | C23 | C25 | O27 | 0.0° | 179.7° |
| O26 | C25 | O27 | HO27 | 0.0° | 0.0° |
