10N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.31Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.32Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C12 | N13 | sing | 1.39Å | 1.39Å | |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | N5 | sing | 1.47Å | 1.46Å | |
| C18 | N13 | sing | 1.46Å | 1.46Å | |
| N13 | S14 | sing | 1.66Å | 1.65Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C22 | sing | 1.48Å | 1.48Å | |
| C23 | C22 | doub | 1.36Å | 1.36Å | Aromatic |
| C23 | C19 | sing | 1.46Å | 1.46Å | Aromatic |
| N5 | C4 | sing | 1.38Å | 1.39Å | |
| C22 | N21 | sing | 1.38Å | 1.36Å | Aromatic |
| O16 | S14 | doub | 1.42Å | 1.41Å | |
| S14 | O15 | doub | 1.42Å | 1.40Å | |
| S14 | C17 | sing | 1.81Å | 1.80Å | |
| C19 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| N21 | C20 | sing | 1.37Å | 1.36Å | Aromatic |
| C20 | N1 | doub | 1.33Å | 1.32Å | Aromatic |
| C3 | C30 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | N31 | trip | 1.14Å | 1.13Å | |
| N1 | C2 | sing | 1.31Å | 1.30Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N5 | H2 | sing | 1.01Å | 1.00Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| N21 | H14 | sing | 0.97Å | 1.00Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 119.3° | 119.4° |
| C9 | C10 | N11 | 120.8° | 120.9° |
| C10 | C9 | H6 | 120.3° | 120.4° |
| C9 | C10 | H7 | 119.6° | 119.6° |
| C9 | C8 | C7 | 118.9° | 118.5° |
| C9 | C8 | H5 | 120.5° | 120.7° |
| C8 | C9 | H6 | 120.4° | 120.3° |
| C10 | N11 | C12 | 122.0° | 121.6° |
| N11 | C10 | H7 | 119.6° | 119.5° |
| C8 | C7 | C12 | 118.4° | 119.1° |
| C8 | C7 | C6 | 119.4° | 120.5° |
| C7 | C8 | H5 | 120.5° | 120.8° |
| N11 | C12 | C7 | 120.7° | 120.5° |
| N11 | C12 | N13 | 117.3° | 119.8° |
| C27 | C28 | C29 | 120.4° | 120.2° |
| C28 | C27 | C26 | 120.3° | 120.3° |
| C28 | C27 | H18 | 119.8° | 119.9° |
| C27 | C28 | H19 | 119.8° | 119.9° |
| C28 | C29 | C24 | 119.7° | 119.8° |
| C29 | C28 | H19 | 119.8° | 119.9° |
| C28 | C29 | H20 | 120.1° | 120.1° |
| C12 | C7 | C6 | 122.2° | 120.4° |
| C7 | C12 | N13 | 122.0° | 119.7° |
| C7 | C6 | N5 | 108.6° | 109.5° |
| C7 | C6 | H3 | 109.7° | 109.5° |
| C7 | C6 | H4 | 109.7° | 109.5° |
| C12 | N13 | C18 | 119.0° | 120.0° |
| C12 | N13 | S14 | 121.0° | 120.0° |
| C27 | C26 | C25 | 119.9° | 120.1° |
| C27 | C26 | H17 | 120.1° | 120.0° |
| C26 | C27 | H18 | 119.9° | 119.8° |
| C29 | C24 | C25 | 119.6° | 119.7° |
| C29 | C24 | C22 | 121.1° | 120.1° |
| C24 | C29 | H20 | 120.2° | 120.1° |
| C6 | N5 | C4 | 117.0° | 111.1° |
| C6 | N5 | H2 | 107.6° | 111.0° |
| N5 | C6 | H3 | 109.7° | 109.4° |
| N5 | C6 | H4 | 109.7° | 109.4° |
| C18 | N13 | S14 | 120.0° | 120.0° |
| N13 | C18 | H11 | 109.5° | 109.5° |
| N13 | C18 | H12 | 109.5° | 109.5° |
| N13 | C18 | H13 | 109.5° | 109.5° |
| N13 | S14 | O16 | 103.4° | 104.3° |
| N13 | S14 | O15 | 105.0° | 104.3° |
| N13 | S14 | C17 | 104.8° | 104.4° |
| C26 | C25 | C24 | 120.2° | 119.8° |
| C26 | C25 | H16 | 119.9° | 120.1° |
| C25 | C26 | H17 | 120.1° | 119.9° |
| C25 | C24 | C22 | 119.4° | 120.1° |
| C24 | C25 | H16 | 119.9° | 120.0° |
| C24 | C22 | C23 | 127.8° | 125.3° |
| C24 | C22 | N21 | 122.9° | 125.3° |
| C22 | C23 | C19 | 106.9° | 106.7° |
| C23 | C22 | N21 | 109.3° | 109.5° |
| C22 | C23 | H15 | 126.5° | 126.6° |
| C23 | C19 | C4 | 135.9° | 133.9° |
| C23 | C19 | C20 | 105.4° | 106.5° |
| C19 | C23 | H15 | 126.5° | 126.6° |
| N5 | C4 | C19 | 124.8° | 121.1° |
| N5 | C4 | C3 | 118.4° | 121.1° |
| C4 | N5 | H2 | 107.6° | 111.0° |
| C22 | N21 | C20 | 110.4° | 110.0° |
| C22 | N21 | H14 | 124.8° | 125.0° |
| O16 | S14 | O15 | 119.9° | 121.0° |
| O16 | S14 | C17 | 110.2° | 110.5° |
| O15 | S14 | C17 | 111.8° | 110.5° |
| S14 | C17 | H8 | 109.5° | 109.5° |
| S14 | C17 | H9 | 109.5° | 109.5° |
| S14 | C17 | H10 | 109.4° | 109.5° |
| C4 | C19 | C20 | 118.7° | 119.5° |
| C19 | C4 | C3 | 116.8° | 117.8° |
| C19 | C20 | N21 | 108.0° | 107.3° |
| C19 | C20 | N1 | 121.3° | 120.1° |
| C4 | C3 | C30 | 121.6° | 120.5° |
| C4 | C3 | C2 | 119.8° | 118.9° |
| N21 | C20 | N1 | 130.8° | 132.6° |
| C20 | N21 | H14 | 124.8° | 125.1° |
| C20 | N1 | C2 | 121.9° | 122.2° |
| C30 | C3 | C2 | 118.6° | 120.5° |
| C3 | C30 | N31 | 179.5° | 180.0° |
| C3 | C2 | N1 | 121.5° | 121.4° |
| C3 | C2 | H1 | 119.3° | 119.3° |
| N1 | C2 | H1 | 119.3° | 119.3° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.4° | 109.4° |
| H8 | C17 | H10 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.4° | 109.5° |
| H11 | C18 | H13 | 109.5° | 109.4° |
| H12 | C18 | H13 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C9 | C10 | N11 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C10 | N11 | C12 | 0.0° | 0.0° |
| C10 | C9 | C8 | H5 | 179.9° | 180.0° |
| C8 | C9 | C10 | N11 | 0.2° | 0.0° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | C12 | 0.2° | 0.0° |
| C9 | C8 | C7 | C6 | 179.9° | 179.7° |
| C8 | C9 | C10 | H7 | 179.8° | 180.0° |
| C10 | N11 | C12 | C7 | 0.4° | 0.0° |
| C10 | N11 | C12 | N13 | 179.6° | 179.7° |
| N11 | C10 | C9 | H6 | 179.8° | 180.0° |
| C8 | C7 | C12 | N11 | 0.5° | 0.0° |
| C8 | C7 | C12 | C6 | 179.7° | 179.7° |
| C8 | C7 | C12 | N13 | 179.6° | 179.7° |
| C8 | C7 | C6 | N5 | 84.8° | 0.9° |
| C8 | C7 | C6 | H3 | 155.4° | 119.0° |
| C8 | C7 | C6 | H4 | 35.1° | 120.9° |
| C7 | C8 | C9 | H6 | 179.9° | 180.0° |
| N11 | C12 | C7 | N13 | 179.2° | 179.7° |
| N11 | C12 | C7 | C6 | 179.9° | 179.7° |
| N11 | C12 | N13 | C18 | 92.0° | 95.3° |
| N11 | C12 | N13 | S14 | 85.7° | 84.7° |
| C12 | N11 | C10 | H7 | 180.0° | 179.9° |
| C27 | C28 | C29 | H19 | 180.0° | 179.7° |
| C28 | C27 | C26 | H18 | 180.0° | 180.0° |
| C27 | C28 | C29 | C24 | 0.2° | 0.5° |
| C28 | C27 | C26 | C25 | 0.2° | 0.0° |
| C28 | C27 | C26 | H17 | 179.8° | 180.0° |
| C27 | C28 | C29 | H20 | 179.8° | 180.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.3° |
| C28 | C29 | C24 | H20 | 180.0° | 179.5° |
| C28 | C29 | C24 | C25 | 0.3° | 0.5° |
| C28 | C29 | C24 | C22 | 179.8° | 179.7° |
| C29 | C28 | C27 | H18 | 179.9° | 179.7° |
| C12 | C7 | C6 | N5 | 94.9° | 179.3° |
| C7 | C12 | N13 | C18 | 87.2° | 84.4° |
| C7 | C12 | N13 | S14 | 95.1° | 95.6° |
| C12 | C7 | C6 | H3 | 25.0° | 60.7° |
| C12 | C7 | C6 | H4 | 145.2° | 59.4° |
| C12 | C7 | C8 | H5 | 179.8° | 180.0° |
| C6 | C7 | C12 | N13 | 0.7° | 0.0° |
| C7 | C6 | N5 | H3 | 119.9° | 120.0° |
| C7 | C6 | N5 | H4 | 119.9° | 120.0° |
| C7 | C6 | N5 | C4 | 177.1° | 174.4° |
| C7 | C6 | N5 | H2 | 61.8° | 61.7° |
| C7 | C6 | H3 | H4 | 120.4° | 120.1° |
| C6 | C7 | C8 | H5 | 0.1° | 0.3° |
| C12 | N13 | C18 | S14 | 177.8° | 180.0° |
| C12 | N13 | S14 | O16 | 90.1° | 26.1° |
| C12 | N13 | S14 | O15 | 36.4° | 154.0° |
| C12 | N13 | S14 | C17 | 154.3° | 90.0° |
| C12 | N13 | C18 | H11 | 180.0° | 94.8° |
| C12 | N13 | C18 | H12 | 60.0° | 145.2° |
| C12 | N13 | C18 | H13 | 60.0° | 25.2° |
| C27 | C26 | C25 | H17 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C27 | C26 | C25 | H16 | 179.7° | 180.0° |
| C26 | C27 | C28 | H19 | 179.9° | 180.0° |
| C29 | C24 | C25 | C26 | 0.4° | 0.3° |
| C29 | C24 | C25 | C22 | 179.5° | 179.7° |
| C29 | C24 | C22 | C23 | 15.9° | 0.3° |
| C29 | C24 | C22 | N21 | 164.0° | 179.8° |
| C29 | C24 | C25 | H16 | 179.6° | 179.8° |
| C24 | C29 | C28 | H19 | 179.8° | 179.8° |
| C6 | N5 | C4 | H2 | 121.1° | 124.0° |
| C6 | N5 | C4 | C19 | 22.6° | 89.6° |
| C6 | N5 | C4 | C3 | 157.8° | 90.4° |
| N5 | C6 | H3 | H4 | 120.4° | 119.9° |
| C18 | N13 | S14 | O16 | 87.6° | 153.9° |
| C18 | N13 | S14 | O15 | 145.9° | 26.1° |
| C18 | N13 | S14 | C17 | 27.9° | 90.0° |
| N13 | C18 | H11 | H12 | 120.0° | 120.1° |
| N13 | C18 | H11 | H13 | 120.0° | 120.0° |
| N13 | C18 | H12 | H13 | 120.0° | 120.0° |
| N13 | S14 | O16 | O15 | 116.4° | 116.8° |
| N13 | S14 | O16 | C17 | 111.6° | 111.7° |
| N13 | S14 | O15 | C17 | 113.1° | 111.7° |
| N13 | S14 | C17 | H8 | 180.0° | 60.0° |
| N13 | S14 | C17 | H9 | 60.0° | 180.0° |
| N13 | S14 | C17 | H10 | 60.0° | 60.0° |
| S14 | N13 | C18 | H11 | 2.2° | 85.3° |
| S14 | N13 | C18 | H12 | 117.8° | 34.8° |
| S14 | N13 | C18 | H13 | 122.2° | 154.8° |
| C26 | C25 | C24 | H16 | 180.0° | 179.9° |
| C26 | C25 | C24 | C22 | 179.9° | 180.0° |
| C25 | C26 | C27 | H18 | 179.8° | 180.0° |
| C25 | C24 | C22 | C23 | 164.6° | 180.0° |
| C25 | C24 | C22 | N21 | 15.5° | 0.0° |
| C24 | C25 | C26 | H17 | 179.7° | 180.0° |
| C25 | C24 | C29 | H20 | 179.7° | 180.0° |
| C24 | C22 | C23 | N21 | 179.9° | 179.9° |
| C24 | C22 | C23 | C19 | 180.0° | 180.0° |
| C24 | C22 | N21 | C20 | 180.0° | 180.0° |
| C24 | C22 | N21 | H14 | 0.0° | 0.0° |
| C24 | C22 | C23 | H15 | 0.0° | 0.0° |
| C22 | C24 | C25 | H16 | 0.1° | 0.0° |
| C22 | C24 | C29 | H20 | 0.2° | 0.2° |
| C22 | C23 | C19 | H15 | 180.0° | 180.0° |
| C22 | C23 | C19 | C4 | 179.9° | 180.0° |
| C22 | C23 | C19 | C20 | 0.0° | 0.0° |
| C23 | C22 | N21 | C20 | 0.1° | 0.0° |
| C23 | C22 | N21 | H14 | 179.9° | 180.0° |
| C23 | C19 | C4 | N5 | 0.3° | 0.0° |
| C19 | C23 | C22 | N21 | 0.1° | 0.0° |
| C23 | C19 | C4 | C20 | 179.9° | 179.9° |
| C23 | C19 | C4 | C3 | 179.9° | 180.0° |
| C23 | C19 | C20 | N21 | 0.1° | 0.0° |
| C23 | C19 | C20 | N1 | 179.9° | 180.0° |
| N5 | C4 | C19 | C3 | 179.6° | 179.9° |
| N5 | C4 | C19 | C20 | 179.8° | 179.9° |
| N5 | C4 | C3 | C30 | 0.4° | 0.1° |
| N5 | C4 | C3 | C2 | 179.8° | 179.9° |
| C4 | N5 | C6 | H3 | 57.3° | 65.6° |
| C4 | N5 | C6 | H4 | 63.0° | 54.4° |
| C22 | N21 | C20 | C19 | 0.1° | 0.0° |
| C22 | N21 | C20 | H14 | 180.0° | 180.0° |
| C22 | N21 | C20 | N1 | 179.9° | 180.0° |
| N21 | C22 | C23 | H15 | 179.9° | 180.0° |
| O16 | S14 | O15 | C17 | 131.3° | 131.5° |
| O16 | S14 | C17 | H8 | 69.3° | 171.6° |
| O16 | S14 | C17 | H9 | 50.7° | 68.4° |
| O16 | S14 | C17 | H10 | 170.7° | 51.7° |
| O15 | S14 | C17 | H8 | 66.8° | 51.6° |
| O15 | S14 | C17 | H9 | 173.2° | 68.3° |
| O15 | S14 | C17 | H10 | 53.3° | 171.6° |
| S14 | C17 | H8 | H9 | 120.0° | 119.9° |
| S14 | C17 | H8 | H10 | 120.0° | 120.0° |
| S14 | C17 | H9 | H10 | 120.0° | 120.1° |
| C4 | C19 | C20 | N21 | 179.8° | 180.0° |
| C4 | C19 | C20 | N1 | 0.0° | 0.0° |
| C19 | C4 | C3 | C30 | 179.9° | 180.0° |
| C19 | C4 | C3 | C2 | 0.1° | 0.0° |
| C19 | C4 | N5 | H2 | 98.5° | 146.5° |
| C4 | C19 | C23 | H15 | 0.1° | 0.0° |
| C20 | C19 | C4 | C3 | 0.2° | 0.0° |
| C19 | C20 | N21 | N1 | 179.8° | 180.0° |
| C19 | C20 | N1 | C2 | 0.3° | 0.0° |
| C19 | C20 | N21 | H14 | 179.9° | 180.0° |
| C20 | C19 | C23 | H15 | 180.0° | 180.0° |
| C4 | C3 | C30 | C2 | 179.8° | 180.0° |
| C4 | C3 | C30 | N31 | 175.0° | 157.6° |
| C4 | C3 | C2 | N1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H1 | 179.8° | 180.0° |
| C3 | C4 | N5 | H2 | 81.1° | 33.6° |
| N21 | C20 | N1 | C2 | 179.9° | 180.0° |
| C20 | N1 | C2 | C3 | 0.4° | 0.0° |
| C20 | N1 | C2 | H1 | 179.6° | 180.0° |
| N1 | C20 | N21 | H14 | 0.1° | 0.0° |
| C30 | C3 | C2 | N1 | 179.7° | 180.0° |
| C30 | C3 | C2 | H1 | 0.4° | 0.0° |
| C2 | C3 | C30 | N31 | 5.2° | 22.5° |
| C3 | C2 | N1 | H1 | 180.0° | 180.0° |
| H2 | N5 | C6 | H3 | 178.3° | 58.4° |
| H2 | N5 | C6 | H4 | 58.1° | 178.3° |
| H5 | C8 | C9 | H6 | 0.1° | 0.0° |
| H6 | C9 | C10 | H7 | 0.2° | 0.1° |
| H8 | C17 | H9 | H10 | 120.0° | 120.0° |
| H11 | C18 | H12 | H13 | 120.0° | 119.9° |
| H16 | C25 | C26 | H17 | 0.3° | 0.1° |
| H17 | C26 | C27 | H18 | 0.2° | 0.0° |
| H18 | C27 | C28 | H19 | 0.1° | 0.0° |
| H19 | C28 | C29 | H20 | 0.2° | 0.3° |
