7SO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N13 | sing | 1.46Å | 1.45Å | |
| N13 | N15 | sing | 1.40Å | 1.34Å | Aromatic |
| N13 | C12 | sing | 1.35Å | 1.35Å | Aromatic |
| N15 | C16 | doub | 1.31Å | 1.36Å | Aromatic |
| C12 | C11 | doub | 1.37Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.43Å | 1.44Å | |
| C10 | C09 | trip | 1.17Å | 1.18Å | |
| C09 | C08 | sing | 1.47Å | 1.45Å | |
| C08 | N07 | sing | 1.47Å | 1.46Å | |
| N07 | C06 | sing | 1.36Å | 1.37Å | |
| N07 | C02 | sing | 1.35Å | 1.40Å | |
| C06 | N05 | doub | 1.30Å | 1.34Å | |
| O01 | C02 | doub | 1.22Å | 1.20Å | |
| C02 | C03 | sing | 1.41Å | 1.44Å | |
| N05 | C04 | sing | 1.34Å | 1.39Å | |
| C03 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C03 | C19 | sing | 1.47Å | 1.39Å | Aromatic |
| C04 | N17 | sing | 1.36Å | 1.36Å | Aromatic |
| N24 | C23 | trip | 1.14Å | 1.15Å | |
| C23 | C22 | sing | 1.43Å | 1.45Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| N17 | C28 | sing | 1.47Å | 1.40Å | |
| N17 | C18 | sing | 1.37Å | 1.32Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.51Å | |
| C19 | C18 | doub | 1.36Å | 1.37Å | Aromatic |
| C22 | C25 | sing | 1.40Å | 1.37Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C20 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| O38 | C29 | doub | 1.21Å | 1.24Å | |
| C29 | N30 | sing | 1.35Å | 1.40Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| N30 | C31 | sing | 1.40Å | 1.43Å | |
| C37 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C36 | N35 | doub | 1.32Å | 1.33Å | Aromatic |
| C32 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | CL33 | sing | 1.74Å | 1.71Å | |
| N35 | C34 | sing | 1.32Å | 1.35Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.08Å | 1.08Å | |
| C36 | H17 | sing | 1.08Å | 1.08Å | |
| C37 | H18 | sing | 1.08Å | 1.08Å | |
| N30 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N13 | N15 | 121.9° | 125.9° |
| C14 | N13 | C12 | 127.0° | 125.9° |
| N13 | C14 | H13 | 109.5° | 109.4° |
| N13 | C14 | H14 | 109.5° | 109.5° |
| N13 | C14 | H15 | 109.5° | 109.5° |
| N15 | N13 | C12 | 111.1° | 108.2° |
| N13 | N15 | C16 | 109.3° | 108.6° |
| N13 | C12 | C11 | 104.0° | 107.6° |
| N13 | C12 | H1 | 128.0° | 126.1° |
| N15 | C16 | C11 | 104.7° | 108.1° |
| N15 | C16 | H2 | 127.6° | 126.0° |
| C12 | C11 | C16 | 110.7° | 107.4° |
| C12 | C11 | C10 | 124.4° | 126.3° |
| C11 | C12 | H1 | 128.0° | 126.2° |
| C16 | C11 | C10 | 124.9° | 126.3° |
| C11 | C16 | H2 | 127.6° | 125.9° |
| C11 | C10 | C09 | 177.8° | 180.0° |
| C10 | C09 | C08 | 171.4° | 179.9° |
| C09 | C08 | N07 | 120.7° | 109.5° |
| C09 | C08 | H11 | 106.6° | 109.4° |
| C09 | C08 | H12 | 106.6° | 109.5° |
| C08 | N07 | C06 | 114.4° | 119.9° |
| C08 | N07 | C02 | 120.6° | 119.9° |
| N07 | C08 | H11 | 106.6° | 109.5° |
| N07 | C08 | H12 | 106.6° | 109.5° |
| C06 | N07 | C02 | 125.0° | 120.3° |
| N07 | C06 | N05 | 123.5° | 122.4° |
| N07 | C06 | H10 | 118.2° | 118.9° |
| N07 | C02 | O01 | 117.8° | 121.0° |
| N07 | C02 | C03 | 112.9° | 118.1° |
| C06 | N05 | C04 | 112.4° | 121.3° |
| N05 | C06 | H10 | 118.2° | 118.8° |
| O01 | C02 | C03 | 129.2° | 121.0° |
| C02 | C03 | C04 | 117.9° | 119.0° |
| C02 | C03 | C19 | 135.7° | 134.8° |
| N05 | C04 | C03 | 128.1° | 119.0° |
| N05 | C04 | N17 | 123.1° | 133.4° |
| C04 | C03 | C19 | 106.4° | 106.2° |
| C03 | C04 | N17 | 108.7° | 107.5° |
| C03 | C19 | C20 | 131.7° | 126.7° |
| C03 | C19 | C18 | 106.7° | 106.4° |
| C04 | N17 | C28 | 128.5° | 124.8° |
| C04 | N17 | C18 | 108.6° | 110.4° |
| N24 | C23 | C22 | 177.1° | 180.0° |
| C23 | C22 | C21 | 116.8° | 120.1° |
| C23 | C22 | C25 | 121.5° | 120.1° |
| C22 | C21 | C20 | 119.0° | 119.7° |
| C21 | C22 | C25 | 121.7° | 119.8° |
| C22 | C21 | H4 | 120.5° | 120.1° |
| C21 | C20 | C19 | 119.6° | 120.0° |
| C21 | C20 | C27 | 119.9° | 119.9° |
| C20 | C21 | H4 | 120.5° | 120.2° |
| C28 | N17 | C18 | 122.9° | 124.8° |
| N17 | C28 | C29 | 111.8° | 109.5° |
| N17 | C28 | H8 | 108.9° | 109.5° |
| N17 | C28 | H9 | 108.9° | 109.4° |
| N17 | C18 | C19 | 109.6° | 109.5° |
| N17 | C18 | H3 | 125.2° | 125.3° |
| C20 | C19 | C18 | 121.5° | 126.8° |
| C19 | C20 | C27 | 120.3° | 120.1° |
| C19 | C18 | H3 | 125.2° | 125.3° |
| C22 | C25 | C26 | 119.5° | 120.1° |
| C22 | C25 | H5 | 120.3° | 119.9° |
| C28 | C29 | O38 | 123.0° | 120.0° |
| C28 | C29 | N30 | 114.4° | 120.0° |
| C29 | C28 | H8 | 108.9° | 109.5° |
| C29 | C28 | H9 | 108.9° | 109.5° |
| C20 | C27 | C26 | 121.2° | 120.2° |
| C20 | C27 | H7 | 119.4° | 119.9° |
| O38 | C29 | N30 | 122.6° | 120.0° |
| C29 | N30 | C31 | 125.9° | 120.0° |
| C29 | N30 | H19 | 117.0° | 120.0° |
| C25 | C26 | C27 | 118.6° | 120.3° |
| C26 | C25 | H5 | 120.3° | 120.0° |
| C25 | C26 | H6 | 120.7° | 119.9° |
| C27 | C26 | H6 | 120.7° | 119.8° |
| C26 | C27 | H7 | 119.4° | 119.9° |
| N30 | C31 | C37 | 121.0° | 120.9° |
| N30 | C31 | C32 | 119.1° | 120.8° |
| C31 | N30 | H19 | 117.0° | 120.1° |
| C31 | C37 | C36 | 119.0° | 119.1° |
| C37 | C31 | C32 | 119.2° | 118.3° |
| C31 | C37 | H18 | 120.5° | 120.4° |
| C37 | C36 | N35 | 120.6° | 120.9° |
| C37 | C36 | H17 | 119.7° | 119.5° |
| C36 | C37 | H18 | 120.5° | 120.5° |
| C31 | C32 | C34 | 119.7° | 119.1° |
| C31 | C32 | CL33 | 122.3° | 120.5° |
| C36 | N35 | C34 | 122.1° | 121.9° |
| N35 | C36 | H17 | 119.7° | 119.6° |
| C34 | C32 | CL33 | 117.8° | 120.4° |
| C32 | C34 | N35 | 119.2° | 120.8° |
| C32 | C34 | H16 | 120.4° | 119.6° |
| N35 | C34 | H16 | 120.4° | 119.6° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H15 | 109.4° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N13 | N15 | C12 | 176.6° | 180.0° |
| C14 | N13 | N15 | C16 | 178.6° | 180.0° |
| C14 | N13 | C12 | C11 | 179.6° | 179.9° |
| C14 | N13 | C12 | H1 | 0.4° | 0.1° |
| N13 | C14 | H13 | H14 | 120.0° | 120.0° |
| N13 | C14 | H13 | H15 | 120.0° | 120.0° |
| N13 | C14 | H14 | H15 | 120.0° | 120.0° |
| N15 | N13 | C12 | C11 | 4.0° | 0.2° |
| N13 | N15 | C16 | C11 | 3.4° | 0.2° |
| N15 | N13 | C12 | H1 | 176.0° | 179.9° |
| N13 | N15 | C16 | H2 | 176.6° | 179.9° |
| N15 | N13 | C14 | H13 | 0.0° | 90.0° |
| N15 | N13 | C14 | H14 | 120.0° | 150.0° |
| N15 | N13 | C14 | H15 | 120.0° | 29.9° |
| C12 | N13 | N15 | C16 | 4.8° | 0.0° |
| N13 | C12 | C11 | H1 | 180.0° | 180.0° |
| N13 | C12 | C11 | C16 | 1.8° | 0.2° |
| N13 | C12 | C11 | C10 | 179.6° | 179.9° |
| C12 | N13 | C14 | H13 | 176.0° | 90.0° |
| C12 | N13 | C14 | H14 | 63.9° | 30.0° |
| C12 | N13 | C14 | H15 | 56.0° | 150.1° |
| N15 | C16 | C11 | C12 | 1.0° | 0.3° |
| N15 | C16 | C11 | H2 | 180.0° | 179.9° |
| N15 | C16 | C11 | C10 | 177.7° | 180.0° |
| C12 | C11 | C16 | C10 | 178.6° | 179.7° |
| C12 | C11 | C10 | C09 | 139.8° | 4.9° |
| C12 | C11 | C16 | H2 | 179.0° | 179.8° |
| C16 | C11 | C10 | C09 | 38.7° | 174.7° |
| C16 | C11 | C12 | H1 | 178.2° | 179.8° |
| C11 | C10 | C09 | C08 | 88.3° | 134.7° |
| C10 | C11 | C12 | H1 | 0.4° | 0.1° |
| C10 | C11 | C16 | H2 | 2.3° | 0.1° |
| C10 | C09 | C08 | N07 | 144.1° | 50.2° |
| C10 | C09 | C08 | H11 | 94.4° | 170.2° |
| C10 | C09 | C08 | H12 | 22.5° | 69.9° |
| C09 | C08 | N07 | H11 | 121.6° | 120.0° |
| C09 | C08 | N07 | H12 | 121.6° | 120.1° |
| C09 | C08 | N07 | C06 | 98.6° | 90.0° |
| C09 | C08 | N07 | C02 | 82.3° | 90.0° |
| C09 | C08 | H11 | H12 | 114.9° | 120.0° |
| C08 | N07 | C06 | C02 | 179.1° | 180.0° |
| C08 | N07 | C06 | N05 | 175.0° | 180.0° |
| C08 | N07 | C02 | O01 | 1.7° | 0.0° |
| C08 | N07 | C02 | C03 | 173.7° | 180.0° |
| C08 | N07 | C06 | H10 | 5.1° | 0.0° |
| N07 | C08 | H11 | H12 | 114.9° | 120.0° |
| N07 | C06 | N05 | H10 | 180.0° | 180.0° |
| C06 | N07 | C02 | O01 | 179.3° | 180.0° |
| C06 | N07 | C02 | C03 | 5.4° | 0.0° |
| N07 | C06 | N05 | C04 | 1.3° | 0.0° |
| C06 | N07 | C08 | H11 | 139.8° | 30.0° |
| C06 | N07 | C08 | H12 | 23.0° | 150.0° |
| C02 | N07 | C06 | N05 | 4.1° | 0.0° |
| N07 | C02 | O01 | C03 | 174.5° | 179.9° |
| N07 | C02 | C03 | C04 | 4.3° | 0.0° |
| N07 | C02 | C03 | C19 | 176.2° | 180.0° |
| C02 | N07 | C06 | H10 | 175.9° | 180.0° |
| C02 | N07 | C08 | H11 | 39.3° | 150.0° |
| C02 | N07 | C08 | H12 | 156.1° | 30.0° |
| C06 | N05 | C04 | C03 | 0.7° | 0.0° |
| C06 | N05 | C04 | N17 | 177.8° | 179.7° |
| O01 | C02 | C03 | C04 | 179.0° | 180.0° |
| O01 | C02 | C03 | C19 | 1.5° | 0.0° |
| C02 | C03 | C04 | N05 | 2.4° | 0.0° |
| C02 | C03 | C04 | C19 | 179.6° | 180.0° |
| C02 | C03 | C04 | N17 | 179.9° | 179.7° |
| C02 | C03 | C19 | C20 | 4.7° | 0.0° |
| C02 | C03 | C19 | C18 | 179.8° | 180.0° |
| N05 | C04 | C03 | N17 | 177.5° | 179.8° |
| N05 | C04 | C03 | C19 | 178.0° | 180.0° |
| N05 | C04 | N17 | C28 | 3.1° | 0.3° |
| N05 | C04 | N17 | C18 | 178.1° | 179.9° |
| C04 | N05 | C06 | H10 | 178.6° | 180.0° |
| C03 | C04 | N17 | C28 | 179.3° | 180.0° |
| C03 | C04 | N17 | C18 | 0.5° | 0.4° |
| C04 | C03 | C19 | C20 | 174.9° | 180.0° |
| C04 | C03 | C19 | C18 | 0.3° | 0.0° |
| C19 | C03 | C04 | N17 | 0.5° | 0.2° |
| C03 | C19 | C20 | C21 | 29.0° | 130.3° |
| C03 | C19 | C18 | N17 | 0.0° | 0.2° |
| C03 | C19 | C20 | C18 | 174.6° | 180.0° |
| C03 | C19 | C20 | C27 | 155.6° | 50.0° |
| C03 | C19 | C18 | H3 | 180.0° | 179.9° |
| C04 | N17 | C28 | C18 | 178.6° | 179.5° |
| C04 | N17 | C18 | C19 | 0.3° | 0.4° |
| C04 | N17 | C28 | C29 | 99.0° | 85.0° |
| C04 | N17 | C18 | H3 | 179.7° | 179.9° |
| C04 | N17 | C28 | H8 | 21.4° | 35.1° |
| C04 | N17 | C28 | H9 | 140.7° | 155.1° |
| N24 | C23 | C22 | C21 | 39.9° | 35.4° |
| N24 | C23 | C22 | C25 | 141.4° | 144.7° |
| C23 | C22 | C21 | C25 | 178.7° | 180.0° |
| C23 | C22 | C21 | C20 | 176.9° | 180.0° |
| C23 | C22 | C25 | C26 | 178.3° | 180.0° |
| C23 | C22 | C21 | H4 | 3.1° | 0.0° |
| C23 | C22 | C25 | H5 | 1.7° | 0.0° |
| C22 | C21 | C20 | H4 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 177.2° | 180.0° |
| C22 | C21 | C20 | C27 | 1.7° | 0.3° |
| C21 | C22 | C25 | C26 | 0.3° | 0.0° |
| C21 | C22 | C25 | H5 | 179.7° | 180.0° |
| C21 | C20 | C19 | C27 | 175.4° | 179.7° |
| C21 | C20 | C19 | C18 | 145.6° | 49.8° |
| C20 | C21 | C22 | C25 | 1.7° | 0.1° |
| C21 | C20 | C27 | C26 | 0.3° | 0.6° |
| C21 | C20 | C27 | H7 | 179.7° | 179.7° |
| C28 | N17 | C18 | C19 | 179.1° | 180.0° |
| N17 | C28 | C29 | H8 | 120.4° | 120.0° |
| N17 | C28 | C29 | H9 | 120.3° | 119.9° |
| N17 | C28 | C29 | O38 | 35.6° | 0.0° |
| N17 | C28 | C29 | N30 | 143.1° | 180.0° |
| C28 | N17 | C18 | H3 | 0.8° | 0.3° |
| N17 | C28 | H8 | H9 | 118.9° | 120.0° |
| N17 | C18 | C19 | C20 | 175.8° | 179.7° |
| N17 | C18 | C19 | H3 | 180.0° | 179.7° |
| C18 | N17 | C28 | C29 | 82.4° | 95.5° |
| C18 | N17 | C28 | H8 | 157.3° | 144.5° |
| C18 | N17 | C28 | H9 | 38.0° | 24.5° |
| C19 | C20 | C27 | C26 | 175.7° | 179.7° |
| C20 | C19 | C18 | H3 | 4.2° | 0.0° |
| C19 | C20 | C21 | H4 | 2.8° | 0.0° |
| C19 | C20 | C27 | H7 | 4.3° | 0.0° |
| C18 | C19 | C20 | C27 | 29.8° | 130.0° |
| C22 | C25 | C26 | H5 | 180.0° | 180.0° |
| C22 | C25 | C26 | C27 | 1.1° | 0.3° |
| C25 | C22 | C21 | H4 | 178.2° | 180.0° |
| C22 | C25 | C26 | H6 | 178.9° | 179.9° |
| C28 | C29 | O38 | N30 | 178.6° | 180.0° |
| C28 | C29 | N30 | C31 | 170.5° | 174.4° |
| C29 | C28 | H8 | H9 | 118.9° | 120.0° |
| C28 | C29 | N30 | H19 | 9.5° | 5.6° |
| C20 | C27 | C26 | C25 | 1.1° | 0.6° |
| C20 | C27 | C26 | H7 | 180.0° | 179.7° |
| C27 | C20 | C21 | H4 | 178.3° | 179.7° |
| C20 | C27 | C26 | H6 | 178.9° | 179.6° |
| O38 | C29 | N30 | C31 | 10.8° | 5.6° |
| O38 | C29 | C28 | H8 | 84.8° | 120.0° |
| O38 | C29 | C28 | H9 | 155.9° | 119.9° |
| O38 | C29 | N30 | H19 | 169.2° | 174.3° |
| C29 | N30 | C31 | H19 | 180.0° | 179.9° |
| C29 | N30 | C31 | C37 | 18.8° | 24.6° |
| C29 | N30 | C31 | C32 | 170.5° | 155.8° |
| N30 | C29 | C28 | H8 | 96.5° | 60.0° |
| N30 | C29 | C28 | H9 | 22.8° | 60.0° |
| C25 | C26 | C27 | H6 | 180.0° | 179.8° |
| C25 | C26 | C27 | H7 | 178.9° | 179.7° |
| C27 | C26 | C25 | H5 | 178.9° | 179.7° |
| N30 | C31 | C37 | C32 | 170.7° | 179.6° |
| N30 | C31 | C37 | C36 | 175.7° | 179.7° |
| N30 | C31 | C32 | C34 | 177.4° | 179.7° |
| N30 | C31 | C32 | CL33 | 8.3° | 0.4° |
| N30 | C31 | C37 | H18 | 4.3° | 0.4° |
| C31 | C37 | C36 | H18 | 180.0° | 179.9° |
| C31 | C37 | C36 | N35 | 2.5° | 0.1° |
| C37 | C31 | C32 | C34 | 6.5° | 0.1° |
| C37 | C31 | C32 | CL33 | 179.1° | 180.0° |
| C31 | C37 | C36 | H17 | 177.5° | 180.0° |
| C37 | C31 | N30 | H19 | 161.2° | 155.4° |
| C36 | C37 | C31 | C32 | 5.1° | 0.1° |
| C37 | C36 | N35 | H17 | 180.0° | 179.9° |
| C37 | C36 | N35 | C34 | 1.3° | 0.0° |
| C31 | C32 | C34 | CL33 | 174.6° | 180.0° |
| C31 | C32 | C34 | N35 | 5.3° | 0.0° |
| C31 | C32 | C34 | H16 | 174.7° | 179.9° |
| C32 | C31 | C37 | H18 | 174.9° | 180.0° |
| C32 | C31 | N30 | H19 | 9.5° | 24.2° |
| C36 | N35 | C34 | C32 | 2.7° | 0.0° |
| C36 | N35 | C34 | H16 | 177.3° | 180.0° |
| N35 | C36 | C37 | H18 | 177.5° | 180.0° |
| C32 | C34 | N35 | H16 | 180.0° | 179.9° |
| CL33 | C32 | C34 | N35 | 179.9° | 180.0° |
| CL33 | C32 | C34 | H16 | 0.1° | 0.0° |
| C34 | N35 | C36 | H17 | 178.7° | 180.0° |
| H5 | C25 | C26 | H6 | 1.1° | 0.1° |
| H6 | C26 | C27 | H7 | 1.1° | 0.1° |
| H13 | C14 | H14 | H15 | 120.0° | 120.0° |
| H17 | C36 | C37 | H18 | 2.5° | 0.1° |
