7SH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL10 | C09 | sing | 1.74Å | 1.76Å | |
| C08 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C08 | N07 | sing | 1.32Å | 1.38Å | Aromatic |
| C09 | C04 | sing | 1.40Å | 1.37Å | Aromatic |
| N07 | C06 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.38Å | |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| O19 | C18 | sing | 1.36Å | 1.38Å | |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.41Å | |
| C18 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C02 | C11 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | doub | 1.36Å | 1.43Å | Aromatic |
| C13 | N12 | sing | 1.37Å | 1.32Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.48Å | |
| C15 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.43Å | 1.52Å | |
| C11 | N12 | sing | 1.46Å | 1.43Å | |
| C14 | C25 | sing | 1.47Å | 1.47Å | Aromatic |
| N12 | C24 | sing | 1.36Å | 1.34Å | Aromatic |
| C21 | N22 | trip | 1.13Å | 1.11Å | |
| C24 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | N38 | sing | 1.34Å | 1.43Å | |
| C25 | C26 | sing | 1.41Å | 1.49Å | |
| N38 | C37 | doub | 1.30Å | 1.44Å | |
| C26 | O39 | doub | 1.22Å | 1.26Å | |
| C26 | N27 | sing | 1.35Å | 1.41Å | |
| C37 | N27 | sing | 1.36Å | 1.41Å | |
| N27 | C28 | sing | 1.46Å | 1.46Å | |
| C28 | C29 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | trip | 1.17Å | 1.15Å | |
| C30 | C31 | sing | 1.43Å | 1.45Å | |
| C31 | C36 | sing | 1.41Å | 1.35Å | Aromatic |
| C31 | C32 | doub | 1.37Å | 1.41Å | Aromatic |
| C36 | N35 | doub | 1.31Å | 1.38Å | Aromatic |
| C32 | N33 | sing | 1.35Å | 1.33Å | Aromatic |
| N35 | N33 | sing | 1.40Å | 1.34Å | Aromatic |
| N33 | C34 | sing | 1.47Å | 1.44Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.08Å | 1.08Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.08Å | 1.08Å | |
| C37 | H17 | sing | 1.08Å | 1.08Å | |
| N03 | H18 | sing | 0.97Å | 1.00Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL10 | C09 | C08 | 120.7° | 120.5° |
| CL10 | C09 | C04 | 118.2° | 120.5° |
| C09 | C08 | N07 | 119.1° | 120.8° |
| C08 | C09 | C04 | 121.0° | 119.0° |
| C09 | C08 | H6 | 120.5° | 119.6° |
| C08 | N07 | C06 | 120.8° | 121.9° |
| N07 | C08 | H6 | 120.4° | 119.6° |
| C09 | C04 | N03 | 119.2° | 120.9° |
| C09 | C04 | C05 | 119.1° | 118.3° |
| N07 | C06 | C05 | 121.9° | 120.9° |
| N07 | C06 | H5 | 119.1° | 119.5° |
| C16 | C17 | C18 | 119.7° | 120.2° |
| C17 | C16 | C15 | 117.0° | 120.3° |
| C17 | C16 | H7 | 121.5° | 119.8° |
| C16 | C17 | H8 | 120.2° | 119.9° |
| C17 | C18 | O19 | 121.4° | 120.0° |
| C17 | C18 | C20 | 121.0° | 120.0° |
| C18 | C17 | H8 | 120.1° | 119.9° |
| C06 | C05 | C04 | 117.9° | 119.1° |
| C06 | C05 | H4 | 121.1° | 120.5° |
| C05 | C06 | H5 | 119.0° | 119.6° |
| N03 | C04 | C05 | 121.2° | 120.9° |
| C04 | N03 | C02 | 125.5° | 120.0° |
| C04 | N03 | H18 | 117.2° | 120.0° |
| C04 | C05 | H4 | 121.0° | 120.4° |
| O19 | C18 | C20 | 117.6° | 120.0° |
| C18 | O19 | H19 | 109.5° | 114.0° |
| C16 | C15 | C14 | 118.2° | 120.0° |
| C16 | C15 | C23 | 123.6° | 120.1° |
| C15 | C16 | H7 | 121.5° | 119.9° |
| N03 | C02 | O01 | 125.4° | 120.0° |
| N03 | C02 | C11 | 113.6° | 120.0° |
| C02 | N03 | H18 | 117.3° | 120.0° |
| C18 | C20 | C23 | 119.9° | 119.7° |
| C18 | C20 | C21 | 122.6° | 120.2° |
| O01 | C02 | C11 | 121.0° | 120.0° |
| C02 | C11 | N12 | 110.8° | 109.5° |
| C02 | C11 | H1 | 109.2° | 109.5° |
| C02 | C11 | H2 | 109.1° | 109.4° |
| C14 | C13 | N12 | 106.0° | 109.4° |
| C13 | C14 | C15 | 121.4° | 126.8° |
| C13 | C14 | C25 | 108.1° | 106.4° |
| C14 | C13 | H3 | 127.0° | 125.3° |
| C13 | N12 | C11 | 120.4° | 124.8° |
| C13 | N12 | C24 | 113.8° | 110.3° |
| N12 | C13 | H3 | 127.0° | 125.3° |
| C14 | C15 | C23 | 118.1° | 120.0° |
| C15 | C14 | C25 | 130.5° | 126.8° |
| C15 | C23 | C20 | 118.7° | 119.7° |
| C15 | C23 | H9 | 120.6° | 120.2° |
| C23 | C20 | C21 | 117.5° | 120.1° |
| C20 | C23 | H9 | 120.7° | 120.1° |
| C20 | C21 | N22 | 176.5° | 180.0° |
| C11 | N12 | C24 | 125.5° | 124.8° |
| N12 | C11 | H1 | 109.2° | 109.5° |
| N12 | C11 | H2 | 109.1° | 109.5° |
| C14 | C25 | C24 | 102.8° | 106.3° |
| C14 | C25 | C26 | 136.9° | 134.7° |
| N12 | C24 | C25 | 109.0° | 107.5° |
| N12 | C24 | N38 | 125.3° | 133.5° |
| C25 | C24 | N38 | 125.6° | 119.0° |
| C24 | C25 | C26 | 120.3° | 119.0° |
| C24 | N38 | C37 | 113.0° | 121.3° |
| C25 | C26 | O39 | 126.4° | 121.0° |
| C25 | C26 | N27 | 112.9° | 118.1° |
| N38 | C37 | N27 | 122.2° | 122.4° |
| N38 | C37 | H17 | 118.9° | 118.7° |
| O39 | C26 | N27 | 120.6° | 120.9° |
| C26 | N27 | C37 | 126.0° | 120.2° |
| C26 | N27 | C28 | 120.2° | 119.9° |
| C37 | N27 | C28 | 113.7° | 119.9° |
| N27 | C37 | H17 | 118.9° | 118.8° |
| N27 | C28 | C29 | 118.9° | 109.5° |
| N27 | C28 | H10 | 107.1° | 109.4° |
| N27 | C28 | H11 | 107.1° | 109.5° |
| C28 | C29 | C30 | 172.4° | 180.0° |
| C29 | C28 | H10 | 107.1° | 109.5° |
| C29 | C28 | H11 | 107.1° | 109.5° |
| C29 | C30 | C31 | 175.3° | 179.9° |
| C30 | C31 | C36 | 124.3° | 126.3° |
| C30 | C31 | C32 | 124.7° | 126.2° |
| C36 | C31 | C32 | 111.0° | 107.5° |
| C31 | C36 | N35 | 105.2° | 108.1° |
| C31 | C36 | H16 | 127.4° | 126.0° |
| C31 | C32 | N33 | 103.7° | 107.5° |
| C31 | C32 | H12 | 128.1° | 126.3° |
| C36 | N35 | N33 | 108.2° | 108.6° |
| N35 | C36 | H16 | 127.4° | 125.9° |
| C32 | N33 | N35 | 111.9° | 108.3° |
| C32 | N33 | C34 | 124.9° | 125.9° |
| N33 | C32 | H12 | 128.2° | 126.2° |
| N35 | N33 | C34 | 123.2° | 125.9° |
| N33 | C34 | H13 | 109.5° | 109.4° |
| N33 | C34 | H14 | 109.5° | 109.5° |
| N33 | C34 | H15 | 109.5° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H13 | C34 | H14 | 109.5° | 109.5° |
| H13 | C34 | H15 | 109.5° | 109.4° |
| H14 | C34 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL10 | C09 | C08 | C04 | 175.9° | 180.0° |
| CL10 | C09 | C08 | N07 | 179.7° | 180.0° |
| CL10 | C09 | C04 | N03 | 6.5° | 0.0° |
| CL10 | C09 | C04 | C05 | 178.6° | 179.7° |
| CL10 | C09 | C08 | H6 | 0.3° | 0.0° |
| C09 | C08 | N07 | H6 | 180.0° | 180.0° |
| C09 | C08 | N07 | C06 | 1.7° | 0.3° |
| C08 | C09 | C04 | N03 | 177.5° | 180.0° |
| C08 | C09 | C04 | C05 | 5.3° | 0.2° |
| N07 | C08 | C09 | C04 | 3.8° | 0.0° |
| C08 | N07 | C06 | C05 | 1.3° | 0.3° |
| C08 | N07 | C06 | H5 | 178.7° | 179.7° |
| C09 | C04 | C05 | C06 | 4.7° | 0.2° |
| C09 | C04 | N03 | C05 | 172.0° | 179.7° |
| C09 | C04 | N03 | C02 | 160.7° | 146.2° |
| C09 | C04 | C05 | H4 | 175.3° | 179.7° |
| C04 | C09 | C08 | H6 | 176.2° | 180.0° |
| C09 | C04 | N03 | H18 | 19.3° | 33.7° |
| N07 | C06 | C05 | H5 | 180.0° | 179.9° |
| N07 | C06 | C05 | C04 | 2.8° | 0.1° |
| N07 | C06 | C05 | H4 | 177.2° | 180.0° |
| C06 | N07 | C08 | H6 | 178.2° | 179.7° |
| C16 | C17 | C18 | H8 | 180.0° | 179.9° |
| C16 | C17 | C18 | O19 | 179.1° | 180.0° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | C20 | 0.5° | 0.0° |
| C17 | C16 | C15 | C14 | 178.6° | 180.0° |
| C17 | C16 | C15 | C23 | 2.8° | 0.3° |
| C17 | C18 | O19 | C20 | 179.6° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C18 | C20 | C23 | 1.3° | 0.2° |
| C17 | C18 | C20 | C21 | 178.9° | 180.0° |
| C18 | C17 | C16 | H7 | 179.8° | 180.0° |
| C17 | C18 | O19 | H19 | 180.0° | 90.0° |
| C06 | C05 | C04 | N03 | 176.7° | 180.0° |
| C06 | C05 | C04 | H4 | 180.0° | 180.0° |
| C04 | N03 | C02 | H18 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 8.1° | 4.2° |
| C04 | N03 | C02 | C11 | 174.1° | 175.8° |
| N03 | C04 | C05 | H4 | 3.3° | 0.0° |
| C05 | C04 | N03 | C02 | 27.3° | 34.0° |
| C04 | C05 | C06 | H5 | 177.2° | 180.0° |
| C05 | C04 | N03 | H18 | 152.7° | 146.0° |
| O19 | C18 | C20 | C23 | 179.1° | 179.7° |
| O19 | C18 | C20 | C21 | 1.4° | 0.0° |
| O19 | C18 | C17 | H8 | 0.9° | 0.1° |
| C16 | C15 | C14 | C13 | 35.1° | 130.3° |
| C16 | C15 | C14 | C23 | 176.0° | 179.7° |
| C16 | C15 | C23 | C20 | 4.6° | 0.6° |
| C16 | C15 | C14 | C25 | 147.5° | 49.7° |
| C15 | C16 | C17 | H8 | 179.8° | 179.9° |
| C16 | C15 | C23 | H9 | 175.4° | 179.7° |
| N03 | C02 | O01 | C11 | 177.6° | 180.0° |
| N03 | C02 | C11 | N12 | 150.5° | 180.0° |
| N03 | C02 | C11 | H1 | 30.3° | 60.0° |
| N03 | C02 | C11 | H2 | 89.3° | 59.9° |
| C18 | C20 | C23 | C15 | 3.7° | 0.5° |
| C18 | C20 | C23 | C21 | 177.8° | 179.8° |
| C18 | C20 | C21 | N22 | 179.0° | 19.4° |
| C20 | C18 | C17 | H8 | 179.5° | 180.0° |
| C18 | C20 | C23 | H9 | 176.3° | 179.7° |
| C20 | C18 | O19 | H19 | 0.4° | 90.0° |
| O01 | C02 | C11 | N12 | 27.4° | 0.0° |
| O01 | C02 | C11 | H1 | 147.6° | 120.1° |
| O01 | C02 | C11 | H2 | 92.8° | 120.0° |
| O01 | C02 | N03 | H18 | 171.9° | 175.8° |
| C02 | C11 | N12 | C13 | 95.9° | 95.0° |
| C02 | C11 | N12 | H1 | 120.2° | 120.0° |
| C02 | C11 | N12 | H2 | 120.2° | 120.0° |
| C02 | C11 | N12 | C24 | 91.1° | 85.0° |
| C02 | C11 | H1 | H2 | 119.4° | 119.9° |
| C11 | C02 | N03 | H18 | 5.9° | 4.1° |
| C14 | C13 | N12 | H3 | 180.0° | 179.7° |
| C13 | C14 | C15 | C25 | 177.4° | 180.0° |
| C13 | C14 | C15 | C23 | 140.9° | 50.0° |
| C14 | C13 | N12 | C11 | 178.1° | 180.0° |
| C14 | C13 | N12 | C24 | 4.3° | 0.0° |
| C13 | C14 | C25 | C24 | 0.6° | 0.1° |
| C13 | C14 | C25 | C26 | 177.6° | 180.0° |
| N12 | C13 | C14 | C15 | 179.1° | 180.0° |
| C13 | N12 | C11 | C24 | 173.0° | 180.0° |
| N12 | C13 | C14 | C25 | 2.9° | 0.0° |
| C13 | N12 | C24 | C25 | 4.1° | 0.0° |
| C13 | N12 | C24 | N38 | 178.4° | 180.0° |
| C13 | N12 | C11 | H1 | 24.3° | 145.0° |
| C13 | N12 | C11 | H2 | 143.9° | 25.0° |
| C14 | C15 | C23 | C20 | 179.6° | 179.7° |
| C15 | C14 | C25 | C24 | 178.3° | 180.0° |
| C15 | C14 | C25 | C26 | 0.1° | 0.0° |
| C15 | C14 | C13 | H3 | 0.9° | 0.3° |
| C14 | C15 | C16 | H7 | 1.4° | 0.0° |
| C14 | C15 | C23 | H9 | 0.4° | 0.0° |
| C15 | C23 | C20 | H9 | 180.0° | 179.7° |
| C15 | C23 | C20 | C21 | 178.5° | 179.7° |
| C23 | C15 | C14 | C25 | 36.5° | 130.0° |
| C23 | C15 | C16 | H7 | 177.2° | 179.7° |
| C23 | C20 | C21 | N22 | 1.3° | 160.3° |
| C21 | C20 | C23 | H9 | 1.5° | 0.0° |
| C11 | N12 | C24 | C25 | 177.4° | 180.0° |
| C11 | N12 | C24 | N38 | 5.1° | 0.0° |
| N12 | C11 | H1 | H2 | 119.4° | 120.0° |
| C11 | N12 | C13 | H3 | 1.9° | 0.3° |
| C14 | C25 | C24 | N12 | 1.8° | 0.1° |
| C14 | C25 | C24 | C26 | 178.6° | 180.0° |
| C14 | C25 | C24 | N38 | 179.3° | 180.0° |
| C14 | C25 | C26 | O39 | 2.6° | 0.0° |
| C14 | C25 | C26 | N27 | 179.3° | 180.0° |
| C25 | C14 | C13 | H3 | 177.1° | 179.8° |
| N12 | C24 | C25 | N38 | 177.5° | 180.0° |
| N12 | C24 | C25 | C26 | 179.6° | 180.0° |
| N12 | C24 | N38 | C37 | 177.6° | 180.0° |
| C24 | N12 | C11 | H1 | 148.7° | 35.0° |
| C24 | N12 | C11 | H2 | 29.1° | 155.0° |
| C24 | N12 | C13 | H3 | 175.7° | 179.7° |
| C25 | C24 | N38 | C37 | 0.6° | 0.0° |
| C24 | C25 | C26 | O39 | 179.4° | 180.0° |
| C24 | C25 | C26 | N27 | 2.7° | 0.0° |
| N38 | C24 | C25 | C26 | 2.1° | 0.0° |
| C24 | N38 | C37 | N27 | 0.1° | 0.0° |
| C24 | N38 | C37 | H17 | 179.9° | 180.0° |
| C25 | C26 | O39 | N27 | 176.5° | 180.0° |
| C25 | C26 | N27 | C37 | 2.2° | 0.0° |
| C25 | C26 | N27 | C28 | 174.8° | 180.0° |
| N38 | C37 | N27 | C26 | 0.8° | 0.0° |
| N38 | C37 | N27 | H17 | 180.0° | 180.0° |
| N38 | C37 | N27 | C28 | 176.3° | 180.0° |
| O39 | C26 | N27 | C37 | 179.1° | 180.0° |
| O39 | C26 | N27 | C28 | 2.1° | 0.0° |
| C26 | N27 | C37 | C28 | 177.2° | 180.0° |
| C26 | N27 | C28 | C29 | 81.8° | 90.0° |
| C26 | N27 | C28 | H10 | 156.9° | 30.0° |
| C26 | N27 | C28 | H11 | 39.6° | 150.0° |
| C26 | N27 | C37 | H17 | 179.2° | 180.0° |
| C37 | N27 | C28 | C29 | 100.9° | 90.0° |
| C37 | N27 | C28 | H10 | 20.5° | 150.0° |
| C37 | N27 | C28 | H11 | 137.8° | 30.0° |
| N27 | C28 | C29 | H10 | 121.3° | 120.0° |
| N27 | C28 | C29 | H11 | 121.3° | 120.0° |
| N27 | C28 | C29 | C30 | 171.1° | 22.1° |
| N27 | C28 | H10 | H11 | 115.7° | 120.0° |
| C28 | N27 | C37 | H17 | 3.7° | 0.0° |
| C28 | C29 | C30 | C31 | 64.7° | 173.9° |
| C29 | C28 | H10 | H11 | 115.8° | 120.0° |
| C29 | C30 | C31 | C36 | 156.8° | 91.8° |
| C29 | C30 | C31 | C32 | 23.2° | 88.5° |
| C30 | C29 | C28 | H10 | 67.6° | 97.9° |
| C30 | C29 | C28 | H11 | 49.8° | 142.1° |
| C30 | C31 | C36 | C32 | 180.0° | 179.7° |
| C30 | C31 | C36 | N35 | 179.6° | 180.0° |
| C30 | C31 | C32 | N33 | 179.2° | 180.0° |
| C30 | C31 | C32 | H12 | 0.8° | 0.0° |
| C30 | C31 | C36 | H16 | 0.4° | 0.0° |
| C31 | C36 | N35 | H16 | 180.0° | 180.0° |
| C36 | C31 | C32 | N33 | 0.8° | 0.3° |
| C31 | C36 | N35 | N33 | 0.2° | 0.2° |
| C36 | C31 | C32 | H12 | 179.2° | 179.7° |
| C32 | C31 | C36 | N35 | 0.4° | 0.3° |
| C31 | C32 | N33 | H12 | 180.0° | 180.0° |
| C31 | C32 | N33 | N35 | 1.0° | 0.1° |
| C31 | C32 | N33 | C34 | 179.7° | 179.9° |
| C32 | C31 | C36 | H16 | 179.6° | 179.7° |
| C36 | N35 | N33 | C32 | 0.8° | 0.0° |
| C36 | N35 | N33 | C34 | 179.9° | 179.9° |
| C32 | N33 | N35 | C34 | 179.3° | 179.9° |
| C32 | N33 | C34 | H13 | 179.2° | 90.0° |
| C32 | N33 | C34 | H14 | 60.7° | 150.0° |
| C32 | N33 | C34 | H15 | 59.2° | 29.9° |
| N35 | N33 | C32 | H12 | 179.0° | 179.8° |
| N35 | N33 | C34 | H13 | 0.0° | 89.9° |
| N35 | N33 | C34 | H14 | 120.0° | 30.1° |
| N35 | N33 | C34 | H15 | 120.0° | 150.2° |
| N33 | N35 | C36 | H16 | 179.8° | 179.8° |
| C34 | N33 | C32 | H12 | 0.3° | 0.1° |
| N33 | C34 | H13 | H14 | 120.0° | 120.0° |
| N33 | C34 | H13 | H15 | 120.0° | 120.0° |
| N33 | C34 | H14 | H15 | 120.0° | 120.1° |
| H4 | C05 | C06 | H5 | 2.8° | 0.0° |
| H7 | C16 | C17 | H8 | 0.2° | 0.1° |
| H13 | C34 | H14 | H15 | 120.0° | 120.0° |
