Z9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N07 | C06 | sing | 1.35Å | 1.45Å | |
| O08 | C06 | doub | 1.21Å | 1.19Å | |
| C06 | C05 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| N10 | C11 | sing | 1.46Å | 1.46Å | |
| N10 | C09 | sing | 1.35Å | 1.47Å | |
| C04 | C09 | sing | 1.51Å | 1.53Å | |
| C04 | N03 | sing | 1.47Å | 1.44Å | |
| C11 | C13 | sing | 1.51Å | 1.52Å | |
| C09 | O17 | doub | 1.21Å | 1.19Å | |
| N03 | C02 | sing | 1.35Å | 1.44Å | |
| O01 | C02 | doub | 1.21Å | 1.17Å | |
| C02 | C18 | sing | 1.51Å | 1.52Å | |
| C13 | O14 | sing | 1.34Å | 1.40Å | |
| C13 | O16 | doub | 1.21Å | 1.18Å | |
| O14 | C15 | sing | 1.45Å | 1.40Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | BR25 | sing | 1.89Å | 1.94Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| N03 | H21 | sing | 0.97Å | 1.00Å | |
| N07 | H22 | sing | 0.97Å | 1.00Å | |
| N07 | H23 | sing | 0.97Å | 1.00Å | |
| N10 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N07 | C06 | O08 | 121.4° | 120.0° |
| N07 | C06 | C05 | 119.5° | 120.0° |
| C06 | N07 | H22 | 120.0° | 120.0° |
| C06 | N07 | H23 | 120.0° | 120.0° |
| O08 | C06 | C05 | 119.1° | 120.1° |
| C06 | C05 | C04 | 117.7° | 109.4° |
| C06 | C05 | H16 | 107.4° | 109.4° |
| C06 | C05 | H17 | 107.4° | 109.5° |
| C05 | C04 | C09 | 108.1° | 109.5° |
| C05 | C04 | N03 | 103.7° | 109.4° |
| C05 | C04 | H15 | 110.8° | 109.5° |
| C04 | C05 | H16 | 107.4° | 109.4° |
| C04 | C05 | H17 | 107.4° | 109.5° |
| C12 | C11 | N10 | 111.7° | 109.5° |
| C12 | C11 | C13 | 110.2° | 109.4° |
| C12 | C11 | H11 | 108.3° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.4° |
| C11 | C12 | H13 | 109.5° | 109.4° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | N10 | C09 | 118.5° | 120.0° |
| N10 | C11 | C13 | 109.3° | 109.5° |
| N10 | C11 | H11 | 109.0° | 109.5° |
| C11 | N10 | H24 | 120.7° | 120.0° |
| N10 | C09 | C04 | 120.6° | 120.0° |
| N10 | C09 | O17 | 120.6° | 120.0° |
| C09 | N10 | H24 | 120.7° | 120.0° |
| C09 | C04 | N03 | 111.5° | 109.4° |
| C04 | C09 | O17 | 118.8° | 120.0° |
| C09 | C04 | H15 | 110.5° | 109.5° |
| C04 | N03 | C02 | 118.1° | 119.9° |
| N03 | C04 | H15 | 111.9° | 109.5° |
| C04 | N03 | H21 | 121.0° | 120.0° |
| C11 | C13 | O14 | 120.9° | 120.0° |
| C11 | C13 | O16 | 118.9° | 120.0° |
| C13 | C11 | H11 | 108.3° | 109.5° |
| N03 | C02 | O01 | 118.8° | 120.0° |
| N03 | C02 | C18 | 121.2° | 120.0° |
| C02 | N03 | H21 | 121.0° | 120.0° |
| O01 | C02 | C18 | 120.0° | 120.0° |
| C02 | C18 | C19 | 111.2° | 109.5° |
| C02 | C18 | H1 | 109.1° | 109.5° |
| C02 | C18 | H2 | 109.0° | 109.5° |
| O14 | C13 | O16 | 120.2° | 120.0° |
| C13 | O14 | C15 | 113.2° | 117.0° |
| O14 | C15 | H8 | 109.5° | 109.5° |
| O14 | C15 | H9 | 109.5° | 109.5° |
| O14 | C15 | H10 | 109.4° | 109.5° |
| C18 | C19 | C20 | 108.7° | 109.5° |
| C19 | C18 | H1 | 109.0° | 109.5° |
| C19 | C18 | H2 | 109.1° | 109.5° |
| C18 | C19 | H3 | 109.7° | 109.5° |
| C18 | C19 | H4 | 109.7° | 109.5° |
| C19 | C20 | C21 | 112.1° | 109.5° |
| C20 | C19 | H3 | 109.7° | 109.4° |
| C20 | C19 | H4 | 109.7° | 109.5° |
| C19 | C20 | H5 | 108.8° | 109.4° |
| C19 | C20 | H6 | 108.8° | 109.4° |
| C20 | C21 | C22 | 119.0° | 120.0° |
| C20 | C21 | C27 | 120.1° | 120.0° |
| C21 | C20 | H5 | 108.8° | 109.5° |
| C21 | C20 | H6 | 108.8° | 109.5° |
| C22 | C21 | C27 | 120.9° | 120.0° |
| C21 | C22 | C23 | 119.3° | 120.0° |
| C21 | C22 | H7 | 120.4° | 120.0° |
| C21 | C27 | C26 | 119.5° | 120.0° |
| C21 | C27 | H20 | 120.3° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C23 | C22 | H7 | 120.3° | 120.0° |
| C22 | C23 | H18 | 119.9° | 120.0° |
| C27 | C26 | C24 | 119.9° | 120.0° |
| C27 | C26 | H19 | 120.1° | 120.0° |
| C26 | C27 | H20 | 120.2° | 119.9° |
| C23 | C24 | C26 | 120.1° | 120.0° |
| C23 | C24 | BR25 | 119.4° | 120.0° |
| C24 | C23 | H18 | 119.8° | 120.0° |
| C26 | C24 | BR25 | 120.5° | 120.0° |
| C24 | C26 | H19 | 120.0° | 120.0° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H3 | C19 | H4 | 109.5° | 109.4° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.4° | 109.5° |
| H8 | C15 | H10 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H16 | C05 | H17 | 109.4° | 109.5° |
| H22 | N07 | H23 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N07 | C06 | O08 | C05 | 179.6° | 180.0° |
| N07 | C06 | C05 | C04 | 99.8° | 175.5° |
| N07 | C06 | C05 | H16 | 139.0° | 55.5° |
| N07 | C06 | C05 | H17 | 21.4° | 64.5° |
| C06 | N07 | H22 | H23 | 180.0° | 180.0° |
| O08 | C06 | C05 | C04 | 80.6° | 4.6° |
| O08 | C06 | C05 | H16 | 40.6° | 124.5° |
| O08 | C06 | C05 | H17 | 158.2° | 115.5° |
| O08 | C06 | N07 | H22 | 0.0° | 180.0° |
| O08 | C06 | N07 | H23 | 180.0° | 0.0° |
| C06 | C05 | C04 | H16 | 121.2° | 119.9° |
| C06 | C05 | C04 | H17 | 121.2° | 120.0° |
| C06 | C05 | C04 | C09 | 82.3° | 174.4° |
| C06 | C05 | C04 | N03 | 159.2° | 65.7° |
| C06 | C05 | C04 | H15 | 39.0° | 54.4° |
| C06 | C05 | H16 | H17 | 116.3° | 120.1° |
| C05 | C06 | N07 | H22 | 179.6° | 0.0° |
| C05 | C06 | N07 | H23 | 0.3° | 180.0° |
| C05 | C04 | C09 | N10 | 89.9° | 60.0° |
| C05 | C04 | C09 | N03 | 113.4° | 119.9° |
| C05 | C04 | C09 | H15 | 121.4° | 120.0° |
| C05 | C04 | N03 | H15 | 119.5° | 120.0° |
| C05 | C04 | C09 | O17 | 89.2° | 120.0° |
| C05 | C04 | N03 | C02 | 110.1° | 153.3° |
| C04 | C05 | H16 | H17 | 116.2° | 120.0° |
| C05 | C04 | N03 | H21 | 69.9° | 26.7° |
| C12 | C11 | N10 | C13 | 122.2° | 120.0° |
| C12 | C11 | N10 | H11 | 119.6° | 120.0° |
| C12 | C11 | N10 | C09 | 155.8° | 85.0° |
| C12 | C11 | C13 | H11 | 118.3° | 120.0° |
| C12 | C11 | C13 | O14 | 73.6° | 60.0° |
| C12 | C11 | C13 | O16 | 106.9° | 120.0° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C12 | C11 | N10 | H24 | 24.2° | 95.0° |
| C11 | N10 | C09 | H24 | 180.0° | 179.9° |
| C11 | N10 | C09 | C04 | 179.6° | 180.0° |
| N10 | C11 | C13 | H11 | 118.7° | 120.0° |
| C11 | N10 | C09 | O17 | 0.5° | 0.0° |
| N10 | C11 | C13 | O14 | 163.4° | 180.0° |
| N10 | C11 | C13 | O16 | 16.1° | 0.0° |
| N10 | C11 | C12 | H12 | 180.0° | 180.0° |
| N10 | C11 | C12 | H13 | 60.0° | 60.0° |
| N10 | C11 | C12 | H14 | 60.0° | 60.0° |
| N10 | C09 | C04 | O17 | 179.2° | 180.0° |
| N10 | C09 | C04 | N03 | 156.7° | 180.0° |
| C09 | N10 | C11 | C13 | 82.0° | 155.0° |
| C09 | N10 | C11 | H11 | 36.2° | 35.0° |
| N10 | C09 | C04 | H15 | 31.5° | 60.0° |
| C09 | C04 | N03 | H15 | 124.4° | 120.0° |
| C09 | C04 | N03 | C02 | 133.8° | 86.8° |
| C09 | C04 | C05 | H16 | 156.5° | 54.5° |
| C09 | C04 | C05 | H17 | 38.9° | 65.6° |
| C09 | C04 | N03 | H21 | 46.2° | 93.2° |
| C04 | C09 | N10 | H24 | 0.4° | 0.1° |
| N03 | C04 | C09 | O17 | 24.2° | 0.0° |
| C04 | N03 | C02 | H21 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 1.4° | 5.0° |
| C04 | N03 | C02 | C18 | 178.8° | 175.0° |
| N03 | C04 | C05 | H16 | 38.0° | 174.4° |
| N03 | C04 | C05 | H17 | 79.6° | 54.4° |
| C11 | C13 | O14 | O16 | 179.5° | 180.0° |
| C11 | C13 | O14 | C15 | 170.1° | 180.0° |
| C13 | C11 | C12 | H12 | 58.4° | 60.0° |
| C13 | C11 | C12 | H13 | 178.4° | 180.0° |
| C13 | C11 | C12 | H14 | 61.7° | 60.0° |
| C13 | C11 | N10 | H24 | 98.0° | 24.9° |
| O17 | C09 | C04 | H15 | 149.3° | 120.0° |
| O17 | C09 | N10 | H24 | 179.5° | 180.0° |
| N03 | C02 | O01 | C18 | 179.8° | 180.0° |
| N03 | C02 | C18 | C19 | 121.4° | 180.0° |
| N03 | C02 | C18 | H1 | 118.3° | 60.0° |
| N03 | C02 | C18 | H2 | 1.2° | 60.0° |
| C02 | N03 | C04 | H15 | 9.4° | 33.2° |
| O01 | C02 | C18 | C19 | 58.4° | 0.0° |
| O01 | C02 | C18 | H1 | 61.9° | 120.0° |
| O01 | C02 | C18 | H2 | 178.6° | 120.1° |
| O01 | C02 | N03 | H21 | 178.6° | 175.0° |
| C02 | C18 | C19 | H1 | 120.3° | 120.1° |
| C02 | C18 | C19 | H2 | 120.3° | 120.0° |
| C02 | C18 | C19 | C20 | 162.3° | 180.0° |
| C02 | C18 | H1 | H2 | 119.2° | 120.0° |
| C02 | C18 | C19 | H3 | 77.9° | 60.0° |
| C02 | C18 | C19 | H4 | 42.4° | 59.9° |
| C18 | C02 | N03 | H21 | 1.2° | 5.0° |
| C13 | O14 | C15 | H8 | 180.0° | 180.0° |
| C13 | O14 | C15 | H9 | 60.0° | 60.0° |
| C13 | O14 | C15 | H10 | 60.0° | 60.1° |
| O14 | C13 | C11 | H11 | 44.7° | 60.0° |
| O16 | C13 | O14 | C15 | 9.4° | 0.0° |
| O16 | C13 | C11 | H11 | 134.8° | 120.0° |
| O14 | C15 | H8 | H9 | 120.0° | 120.0° |
| O14 | C15 | H8 | H10 | 120.0° | 120.0° |
| O14 | C15 | H9 | H10 | 120.0° | 120.1° |
| C18 | C19 | C20 | H3 | 119.9° | 120.0° |
| C18 | C19 | C20 | H4 | 119.9° | 120.1° |
| C18 | C19 | C20 | C21 | 170.5° | 180.0° |
| C19 | C18 | H1 | H2 | 119.2° | 120.0° |
| C18 | C19 | H3 | H4 | 120.4° | 120.0° |
| C18 | C19 | C20 | H5 | 69.1° | 60.0° |
| C18 | C19 | C20 | H6 | 50.2° | 60.0° |
| C19 | C20 | C21 | H5 | 120.4° | 120.0° |
| C19 | C20 | C21 | H6 | 120.4° | 120.0° |
| C19 | C20 | C21 | C22 | 130.2° | 89.9° |
| C19 | C20 | C21 | C27 | 50.2° | 90.3° |
| C20 | C19 | C18 | H1 | 42.0° | 59.9° |
| C20 | C19 | C18 | H2 | 77.5° | 60.0° |
| C20 | C19 | H3 | H4 | 120.3° | 120.0° |
| C19 | C20 | H5 | H6 | 118.8° | 119.9° |
| C20 | C21 | C22 | C27 | 179.6° | 179.8° |
| C20 | C21 | C22 | C23 | 179.4° | 180.0° |
| C20 | C21 | C27 | C26 | 179.4° | 179.8° |
| C21 | C20 | C19 | H3 | 50.7° | 60.0° |
| C21 | C20 | C19 | H4 | 69.6° | 59.9° |
| C21 | C20 | H5 | H6 | 118.8° | 120.1° |
| C20 | C21 | C22 | H7 | 0.6° | 0.0° |
| C20 | C21 | C27 | H20 | 0.5° | 0.0° |
| C21 | C22 | C23 | H7 | 180.0° | 179.9° |
| C22 | C21 | C27 | C26 | 0.2° | 0.4° |
| C21 | C22 | C23 | C24 | 0.2° | 0.1° |
| C22 | C21 | C20 | H5 | 9.8° | 30.0° |
| C22 | C21 | C20 | H6 | 109.4° | 150.1° |
| C21 | C22 | C23 | H18 | 179.8° | 180.0° |
| C22 | C21 | C27 | H20 | 179.9° | 179.8° |
| C27 | C21 | C22 | C23 | 0.2° | 0.2° |
| C21 | C27 | C26 | H20 | 180.0° | 179.8° |
| C21 | C27 | C26 | C24 | 0.2° | 0.5° |
| C27 | C21 | C20 | H5 | 170.6° | 149.8° |
| C27 | C21 | C20 | H6 | 70.2° | 29.7° |
| C27 | C21 | C22 | H7 | 179.8° | 179.7° |
| C21 | C27 | C26 | H19 | 179.8° | 179.7° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| C22 | C23 | C24 | C26 | 0.2° | 0.1° |
| C22 | C23 | C24 | BR25 | 179.8° | 180.0° |
| C27 | C26 | C24 | C23 | 0.2° | 0.2° |
| C27 | C26 | C24 | H19 | 180.0° | 179.8° |
| C27 | C26 | C24 | BR25 | 179.8° | 179.8° |
| C23 | C24 | C26 | BR25 | 179.6° | 180.0° |
| C24 | C23 | C22 | H7 | 179.8° | 180.0° |
| C23 | C24 | C26 | H19 | 179.8° | 180.0° |
| C26 | C24 | C23 | H18 | 179.8° | 180.0° |
| C24 | C26 | C27 | H20 | 179.8° | 179.8° |
| BR25 | C24 | C23 | H18 | 0.2° | 0.0° |
| BR25 | C24 | C26 | H19 | 0.2° | 0.0° |
| H1 | C18 | C19 | H3 | 161.9° | 60.0° |
| H1 | C18 | C19 | H4 | 77.9° | 180.0° |
| H2 | C18 | C19 | H3 | 42.4° | 180.0° |
| H2 | C18 | C19 | H4 | 162.7° | 60.1° |
| H3 | C19 | C20 | H5 | 171.0° | 180.0° |
| H3 | C19 | C20 | H6 | 69.7° | 60.0° |
| H4 | C19 | C20 | H5 | 50.8° | 60.0° |
| H4 | C19 | C20 | H6 | 170.0° | 180.0° |
| H7 | C22 | C23 | H18 | 0.2° | 0.0° |
| H8 | C15 | H9 | H10 | 120.0° | 119.9° |
| H11 | C11 | C12 | H12 | 60.0° | 60.0° |
| H11 | C11 | C12 | H13 | 60.0° | 60.0° |
| H11 | C11 | C12 | H14 | 180.0° | 180.0° |
| H11 | C11 | N10 | H24 | 143.8° | 145.0° |
| H12 | C12 | H13 | H14 | 120.0° | 120.1° |
| H15 | C04 | C05 | H16 | 82.2° | 65.5° |
| H15 | C04 | C05 | H17 | 160.2° | 174.4° |
| H15 | C04 | N03 | H21 | 170.6° | 146.8° |
| H19 | C26 | C27 | H20 | 0.2° | 0.0° |
