7MA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | sing | 1.38Å | 1.36Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | S23 | sing | 1.76Å | 1.89Å | |
| O24 | S23 | doub | 1.42Å | 1.64Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| S23 | N14 | sing | 1.66Å | 1.80Å | |
| S23 | O25 | doub | 1.42Å | 1.61Å | |
| C13 | N14 | sing | 1.46Å | 1.46Å | |
| C13 | C11 | sing | 1.51Å | 1.56Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.44Å | Aromatic |
| N14 | C15 | sing | 1.40Å | 1.53Å | |
| C19 | C18 | sing | 1.39Å | 1.45Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | O12 | doub | 1.21Å | 1.20Å | |
| C11 | N03 | sing | 1.35Å | 1.43Å | |
| C01 | C02 | sing | 1.53Å | 1.59Å | |
| N03 | C02 | sing | 1.47Å | 1.50Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| C18 | N17 | doub | 1.32Å | 1.36Å | Aromatic |
| C18 | O21 | sing | 1.36Å | 1.39Å | |
| C16 | N17 | sing | 1.32Å | 1.31Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| O21 | C22 | sing | 1.43Å | 1.41Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C06 | N07 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| N07 | C08 | doub | 1.32Å | 1.31Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.08Å | 1.08Å | |
| C08 | H25 | sing | 1.08Å | 1.08Å | |
| C06 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 120.6° | 120.0° |
| C28 | C29 | C30 | 120.3° | 120.1° |
| C29 | C28 | H8 | 119.7° | 120.0° |
| C28 | C29 | H13 | 119.8° | 120.0° |
| C28 | C27 | C26 | 119.1° | 120.0° |
| C27 | C28 | H8 | 119.7° | 120.0° |
| C28 | C27 | H14 | 120.5° | 120.1° |
| C29 | C30 | C31 | 119.6° | 119.9° |
| C29 | C30 | H12 | 120.2° | 120.1° |
| C30 | C29 | H13 | 119.9° | 119.9° |
| C27 | C26 | C31 | 120.9° | 120.0° |
| C27 | C26 | S23 | 116.0° | 120.0° |
| C26 | C27 | H14 | 120.5° | 119.9° |
| C30 | C31 | C26 | 119.5° | 120.0° |
| C30 | C31 | C32 | 117.8° | 120.0° |
| C31 | C30 | H12 | 120.2° | 120.0° |
| C31 | C26 | S23 | 123.1° | 120.0° |
| C26 | C31 | C32 | 122.7° | 120.0° |
| C26 | S23 | O24 | 107.9° | 106.4° |
| C26 | S23 | N14 | 105.9° | 107.2° |
| C26 | S23 | O25 | 110.8° | 106.4° |
| O24 | S23 | N14 | 110.1° | 106.4° |
| O24 | S23 | O25 | 111.0° | 123.2° |
| C31 | C32 | H9 | 109.5° | 109.5° |
| C31 | C32 | H10 | 109.5° | 109.5° |
| C31 | C32 | H11 | 109.5° | 109.5° |
| N14 | S23 | O25 | 110.9° | 106.4° |
| S23 | N14 | C13 | 119.1° | 120.0° |
| S23 | N14 | C15 | 115.7° | 120.0° |
| N14 | C13 | C11 | 119.8° | 109.5° |
| C13 | N14 | C15 | 125.1° | 120.0° |
| N14 | C13 | H2 | 106.9° | 109.5° |
| N14 | C13 | H3 | 106.9° | 109.5° |
| C13 | C11 | O12 | 118.1° | 120.0° |
| C13 | C11 | N03 | 121.9° | 120.0° |
| C11 | C13 | H2 | 106.8° | 109.5° |
| C11 | C13 | H3 | 106.8° | 109.4° |
| C19 | C20 | C15 | 118.2° | 118.4° |
| C20 | C19 | C18 | 116.9° | 119.2° |
| C19 | C20 | H4 | 120.9° | 120.8° |
| C20 | C19 | H16 | 121.6° | 120.4° |
| C20 | C15 | N14 | 122.0° | 120.4° |
| C20 | C15 | C16 | 120.7° | 119.2° |
| C15 | C20 | H4 | 120.9° | 120.8° |
| N14 | C15 | C16 | 117.2° | 120.4° |
| C19 | C18 | N17 | 123.0° | 120.8° |
| C19 | C18 | O21 | 120.0° | 119.6° |
| C18 | C19 | H16 | 121.5° | 120.4° |
| C15 | C16 | N17 | 120.3° | 120.7° |
| C15 | C16 | H15 | 119.8° | 119.7° |
| O12 | C11 | N03 | 119.8° | 120.0° |
| C11 | N03 | C02 | 121.9° | 120.0° |
| C11 | N03 | C04 | 116.3° | 120.0° |
| C01 | C02 | N03 | 112.5° | 109.5° |
| C01 | C02 | H17 | 108.7° | 109.5° |
| C01 | C02 | H18 | 108.7° | 109.5° |
| C02 | C01 | H19 | 109.5° | 109.5° |
| C02 | C01 | H20 | 109.5° | 109.5° |
| C02 | C01 | H21 | 109.5° | 109.5° |
| C02 | N03 | C04 | 121.8° | 120.0° |
| N03 | C02 | H17 | 108.7° | 109.5° |
| N03 | C02 | H18 | 108.7° | 109.4° |
| N03 | C04 | C05 | 115.4° | 109.4° |
| N03 | C04 | H22 | 108.0° | 109.5° |
| N03 | C04 | H23 | 108.0° | 109.5° |
| N17 | C18 | O21 | 117.0° | 119.6° |
| C18 | N17 | C16 | 120.9° | 121.7° |
| C18 | O21 | C22 | 115.4° | 117.0° |
| N17 | C16 | H15 | 119.8° | 119.6° |
| C04 | C05 | C06 | 122.2° | 120.4° |
| C04 | C05 | C10 | 116.6° | 120.4° |
| C05 | C04 | H22 | 108.0° | 109.5° |
| C05 | C04 | H23 | 108.0° | 109.4° |
| O21 | C22 | H5 | 109.5° | 109.4° |
| O21 | C22 | H6 | 109.5° | 109.5° |
| O21 | C22 | H7 | 109.5° | 109.5° |
| C06 | C05 | C10 | 121.2° | 119.2° |
| C05 | C06 | N07 | 119.1° | 120.7° |
| C05 | C06 | H26 | 120.5° | 119.7° |
| C05 | C10 | C09 | 118.2° | 118.4° |
| C05 | C10 | H1 | 120.9° | 120.8° |
| C06 | N07 | C08 | 120.8° | 121.7° |
| N07 | C06 | H26 | 120.4° | 119.6° |
| C10 | C09 | C08 | 118.0° | 119.1° |
| C09 | C10 | H1 | 120.9° | 120.7° |
| C10 | C09 | H24 | 121.0° | 120.4° |
| N07 | C08 | C09 | 122.7° | 120.8° |
| N07 | C08 | H25 | 118.7° | 119.6° |
| C08 | C09 | H24 | 121.0° | 120.5° |
| C09 | C08 | H25 | 118.7° | 119.6° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H7 | 109.4° | 109.4° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H9 | C32 | H10 | 109.5° | 109.4° |
| H9 | C32 | H11 | 109.4° | 109.5° |
| H10 | C32 | H11 | 109.4° | 109.4° |
| H17 | C02 | H18 | 109.5° | 109.5° |
| H19 | C01 | H20 | 109.5° | 109.5° |
| H19 | C01 | H21 | 109.4° | 109.5° |
| H20 | C01 | H21 | 109.5° | 109.4° |
| H22 | C04 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H8 | 180.0° | 179.7° |
| C28 | C29 | C30 | H13 | 180.0° | 179.7° |
| C29 | C28 | C27 | C26 | 0.5° | 0.6° |
| C28 | C29 | C30 | C31 | 0.4° | 0.0° |
| C28 | C29 | C30 | H12 | 179.6° | 180.0° |
| C29 | C28 | C27 | H14 | 179.5° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C28 | C27 | C26 | H14 | 180.0° | 179.4° |
| C28 | C27 | C26 | C31 | 0.9° | 0.6° |
| C28 | C27 | C26 | S23 | 179.4° | 179.7° |
| C27 | C28 | C29 | H13 | 179.9° | 180.0° |
| C29 | C30 | C31 | H12 | 180.0° | 180.0° |
| C29 | C30 | C31 | C26 | 0.0° | 0.1° |
| C29 | C30 | C31 | C32 | 179.9° | 180.0° |
| C30 | C29 | C28 | H8 | 179.9° | 180.0° |
| C27 | C26 | C31 | C30 | 0.7° | 0.2° |
| C27 | C26 | C31 | S23 | 178.4° | 179.7° |
| C27 | C26 | S23 | O24 | 30.9° | 130.2° |
| C27 | C26 | C31 | C32 | 179.3° | 179.7° |
| C27 | C26 | S23 | N14 | 87.0° | 116.3° |
| C27 | C26 | S23 | O25 | 152.6° | 2.7° |
| C26 | C27 | C28 | H8 | 179.5° | 179.7° |
| C30 | C31 | C26 | C32 | 179.9° | 179.9° |
| C30 | C31 | C26 | S23 | 179.0° | 180.0° |
| C30 | C31 | C32 | H9 | 89.9° | 95.9° |
| C30 | C31 | C32 | H10 | 150.0° | 24.0° |
| C30 | C31 | C32 | H11 | 30.0° | 144.0° |
| C31 | C30 | C29 | H13 | 179.6° | 179.7° |
| C31 | C26 | S23 | O24 | 150.7° | 50.0° |
| C31 | C26 | S23 | N14 | 91.4° | 63.5° |
| C31 | C26 | S23 | O25 | 28.9° | 177.0° |
| C26 | C31 | C32 | H9 | 90.0° | 84.0° |
| C26 | C31 | C32 | H10 | 30.1° | 156.1° |
| C26 | C31 | C32 | H11 | 150.0° | 36.1° |
| C26 | C31 | C30 | H12 | 180.0° | 180.0° |
| C31 | C26 | C27 | H14 | 179.1° | 179.9° |
| C26 | S23 | O24 | N14 | 115.2° | 114.1° |
| C26 | S23 | O24 | O25 | 121.7° | 123.0° |
| S23 | C26 | C31 | C32 | 0.9° | 0.1° |
| C26 | S23 | N14 | O25 | 120.3° | 113.5° |
| C26 | S23 | N14 | C13 | 123.2° | 111.4° |
| C26 | S23 | N14 | C15 | 55.1° | 68.5° |
| S23 | C26 | C27 | H14 | 0.6° | 0.3° |
| O24 | S23 | N14 | O25 | 123.2° | 132.9° |
| O24 | S23 | N14 | C13 | 6.8° | 2.1° |
| O24 | S23 | N14 | C15 | 171.6° | 177.9° |
| C31 | C32 | H9 | H10 | 120.0° | 120.0° |
| C31 | C32 | H9 | H11 | 120.0° | 120.1° |
| C31 | C32 | H10 | H11 | 120.0° | 120.0° |
| C32 | C31 | C30 | H12 | 0.1° | 0.1° |
| S23 | N14 | C13 | C15 | 178.1° | 179.9° |
| S23 | N14 | C13 | C11 | 136.0° | 98.5° |
| S23 | N14 | C15 | C20 | 85.0° | 153.3° |
| S23 | N14 | C15 | C16 | 91.2° | 26.5° |
| S23 | N14 | C13 | H2 | 102.6° | 141.5° |
| S23 | N14 | C13 | H3 | 14.5° | 21.5° |
| O25 | S23 | N14 | C13 | 116.5° | 135.0° |
| O25 | S23 | N14 | C15 | 65.2° | 45.0° |
| N14 | C13 | C11 | H2 | 121.5° | 120.0° |
| N14 | C13 | C11 | H3 | 121.5° | 120.0° |
| C13 | N14 | C15 | C20 | 93.2° | 26.7° |
| C13 | N14 | C15 | C16 | 90.6° | 153.6° |
| N14 | C13 | C11 | O12 | 91.0° | 0.0° |
| N14 | C13 | C11 | N03 | 93.5° | 180.0° |
| N14 | C13 | H2 | H3 | 115.4° | 120.0° |
| C11 | C13 | N14 | C15 | 45.9° | 81.6° |
| C13 | C11 | O12 | N03 | 175.6° | 180.0° |
| C13 | C11 | N03 | C02 | 5.4° | 0.1° |
| C13 | C11 | N03 | C04 | 175.9° | 180.0° |
| C11 | C13 | H2 | H3 | 115.3° | 120.0° |
| C19 | C20 | C15 | H4 | 180.0° | 180.0° |
| C19 | C20 | C15 | N14 | 176.6° | 179.7° |
| C20 | C19 | C18 | H16 | 180.0° | 180.0° |
| C19 | C20 | C15 | C16 | 0.5° | 0.0° |
| C20 | C19 | C18 | N17 | 0.7° | 0.0° |
| C20 | C19 | C18 | O21 | 179.8° | 180.0° |
| C20 | C15 | N14 | C16 | 176.2° | 179.7° |
| C15 | C20 | C19 | C18 | 0.2° | 0.0° |
| C20 | C15 | C16 | N17 | 0.7° | 0.1° |
| C20 | C15 | C16 | H15 | 179.3° | 180.0° |
| C15 | C20 | C19 | H16 | 179.8° | 180.0° |
| N14 | C15 | C16 | N17 | 177.0° | 179.8° |
| C15 | N14 | C13 | H2 | 75.6° | 38.5° |
| C15 | N14 | C13 | H3 | 167.3° | 158.5° |
| N14 | C15 | C20 | H4 | 3.4° | 0.2° |
| N14 | C15 | C16 | H15 | 3.0° | 0.3° |
| C19 | C18 | N17 | O21 | 179.5° | 180.0° |
| C19 | C18 | N17 | C16 | 0.5° | 0.0° |
| C19 | C18 | O21 | C22 | 178.8° | 180.0° |
| C18 | C19 | C20 | H4 | 179.9° | 180.0° |
| C15 | C16 | N17 | C18 | 0.2° | 0.1° |
| C15 | C16 | N17 | H15 | 180.0° | 179.9° |
| C16 | C15 | C20 | H4 | 179.5° | 180.0° |
| O12 | C11 | N03 | C02 | 179.2° | 180.0° |
| O12 | C11 | N03 | C04 | 0.5° | 0.1° |
| O12 | C11 | C13 | H2 | 30.5° | 120.0° |
| O12 | C11 | C13 | H3 | 147.5° | 120.0° |
| C11 | N03 | C02 | C01 | 105.9° | 90.0° |
| C11 | N03 | C02 | C04 | 178.6° | 179.9° |
| C11 | N03 | C04 | C05 | 99.0° | 90.0° |
| N03 | C11 | C13 | H2 | 145.0° | 60.0° |
| N03 | C11 | C13 | H3 | 28.0° | 60.0° |
| C11 | N03 | C02 | H17 | 133.6° | 150.0° |
| C11 | N03 | C02 | H18 | 14.5° | 30.0° |
| C11 | N03 | C04 | H22 | 21.8° | 150.0° |
| C11 | N03 | C04 | H23 | 140.1° | 29.9° |
| C01 | C02 | N03 | H17 | 120.4° | 120.0° |
| C01 | C02 | N03 | H18 | 120.4° | 120.0° |
| C01 | C02 | N03 | C04 | 75.5° | 90.0° |
| C01 | C02 | H17 | H18 | 118.6° | 120.0° |
| C02 | C01 | H19 | H20 | 120.0° | 120.1° |
| C02 | C01 | H19 | H21 | 120.0° | 120.0° |
| C02 | C01 | H20 | H21 | 120.0° | 120.0° |
| C02 | N03 | C04 | C05 | 79.7° | 90.1° |
| N03 | C02 | H17 | H18 | 118.6° | 120.0° |
| N03 | C02 | C01 | H19 | 180.0° | 60.0° |
| N03 | C02 | C01 | H20 | 60.0° | 180.0° |
| N03 | C02 | C01 | H21 | 60.0° | 60.0° |
| C02 | N03 | C04 | H22 | 159.5° | 29.9° |
| C02 | N03 | C04 | H23 | 41.2° | 150.0° |
| N03 | C04 | C05 | H22 | 120.8° | 120.0° |
| N03 | C04 | C05 | H23 | 120.9° | 120.0° |
| N03 | C04 | C05 | C06 | 12.4° | 90.0° |
| N03 | C04 | C05 | C10 | 167.4° | 90.0° |
| C04 | N03 | C02 | H17 | 45.0° | 30.1° |
| C04 | N03 | C02 | H18 | 164.1° | 150.1° |
| N03 | C04 | H22 | H23 | 117.3° | 120.1° |
| N17 | C18 | O21 | C22 | 1.6° | 0.0° |
| C18 | N17 | C16 | H15 | 179.8° | 180.0° |
| N17 | C18 | C19 | H16 | 179.3° | 180.0° |
| O21 | C18 | N17 | C16 | 179.9° | 180.0° |
| C18 | O21 | C22 | H5 | 180.0° | 60.0° |
| C18 | O21 | C22 | H6 | 60.0° | 180.0° |
| C18 | O21 | C22 | H7 | 60.0° | 60.0° |
| O21 | C18 | C19 | H16 | 0.2° | 0.0° |
| C04 | C05 | C06 | C10 | 179.8° | 179.9° |
| C04 | C05 | C06 | N07 | 178.5° | 179.5° |
| C04 | C05 | C10 | C09 | 178.8° | 180.0° |
| C04 | C05 | C10 | H1 | 1.2° | 0.2° |
| C05 | C04 | H22 | H23 | 117.3° | 119.9° |
| C04 | C05 | C06 | H26 | 1.5° | 0.0° |
| O21 | C22 | H5 | H6 | 120.0° | 120.0° |
| O21 | C22 | H5 | H7 | 120.0° | 120.0° |
| O21 | C22 | H6 | H7 | 120.0° | 120.1° |
| C05 | C06 | N07 | H26 | 180.0° | 179.5° |
| C06 | C05 | C10 | C09 | 1.0° | 0.0° |
| C05 | C06 | N07 | C08 | 1.4° | 0.8° |
| C06 | C05 | C10 | H1 | 179.0° | 179.7° |
| C06 | C05 | C04 | H22 | 108.4° | 30.0° |
| C06 | C05 | C04 | H23 | 133.3° | 150.0° |
| C10 | C05 | C06 | N07 | 1.3° | 0.5° |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C05 | C10 | C09 | C08 | 0.9° | 0.2° |
| C10 | C05 | C04 | H22 | 71.8° | 150.0° |
| C10 | C05 | C04 | H23 | 46.5° | 30.0° |
| C05 | C10 | C09 | H24 | 179.1° | 179.7° |
| C10 | C05 | C06 | H26 | 178.8° | 180.0° |
| C06 | N07 | C08 | C09 | 1.3° | 0.5° |
| C06 | N07 | C08 | H25 | 178.7° | 179.5° |
| C10 | C09 | C08 | N07 | 1.0° | 0.0° |
| C10 | C09 | C08 | H24 | 180.0° | 179.9° |
| C10 | C09 | C08 | H25 | 179.0° | 179.9° |
| N07 | C08 | C09 | H25 | 180.0° | 179.9° |
| N07 | C08 | C09 | H24 | 178.9° | 179.9° |
| C08 | N07 | C06 | H26 | 178.6° | 179.7° |
| C08 | C09 | C10 | H1 | 179.1° | 180.0° |
| H1 | C10 | C09 | H24 | 0.9° | 0.0° |
| H4 | C20 | C19 | H16 | 0.1° | 0.0° |
| H5 | C22 | H6 | H7 | 119.9° | 120.0° |
| H8 | C28 | C29 | H13 | 0.1° | 0.3° |
| H8 | C28 | C27 | H14 | 0.5° | 0.3° |
| H9 | C32 | H10 | H11 | 120.0° | 120.0° |
| H12 | C30 | C29 | H13 | 0.4° | 0.3° |
| H17 | C02 | C01 | H19 | 59.5° | 60.0° |
| H17 | C02 | C01 | H20 | 60.5° | 60.0° |
| H17 | C02 | C01 | H21 | 179.5° | 180.0° |
| H18 | C02 | C01 | H19 | 59.6° | 179.9° |
| H18 | C02 | C01 | H20 | 179.6° | 60.0° |
| H18 | C02 | C01 | H21 | 60.4° | 59.9° |
| H19 | C01 | H20 | H21 | 120.0° | 119.9° |
| H24 | C09 | C08 | H25 | 1.1° | 0.1° |
