2EV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C15 | sing | 1.74Å | 1.72Å | |
| N11 | C14 | doub | 1.28Å | 1.29Å | |
| C14 | C24 | sing | 1.51Å | 1.47Å | |
| O17 | C10 | doub | 1.21Å | 1.23Å | |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C8 | C4 | sing | 1.54Å | 1.53Å | |
| C15 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| O12 | S1 | doub | 1.42Å | 1.42Å | |
| C24 | N18 | sing | 1.47Å | 1.46Å | |
| C10 | N18 | sing | 1.35Å | 1.35Å | |
| C10 | C4 | sing | 1.51Å | 1.51Å | |
| N2 | S1 | sing | 1.66Å | 1.66Å | |
| N2 | C7 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.55Å | 1.55Å | |
| S1 | C6 | sing | 1.76Å | 1.78Å | |
| S1 | O13 | doub | 1.42Å | 1.41Å | |
| C6 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C7 | sing | 1.55Å | 1.55Å | |
| C3 | C5 | sing | 1.51Å | 1.52Å | |
| C26 | C22 | sing | 1.53Å | 1.54Å | |
| C26 | O19 | sing | 1.43Å | 1.43Å | |
| C22 | N9 | sing | 1.47Å | 1.49Å | |
| C21 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | N9 | sing | 1.35Å | 1.37Å | |
| C5 | O16 | doub | 1.21Å | 1.22Å | |
| N9 | C23 | sing | 1.47Å | 1.49Å | |
| O19 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| N11 | H7 | sing | 0.97Å | 1.00Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N18 | H9 | sing | 0.97Å | 1.00Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C15 | C27 | 115.6° | 119.9° |
| CL1 | C15 | C6 | 122.6° | 120.1° |
| N11 | C14 | C24 | 116.4° | 120.0° |
| C14 | N11 | H7 | 112.0° | 119.9° |
| N11 | C14 | H8 | 121.8° | 120.0° |
| C14 | C24 | N18 | 111.7° | 109.5° |
| C24 | C14 | H8 | 121.8° | 120.0° |
| C14 | C24 | H15 | 108.9° | 109.5° |
| C14 | C24 | H16 | 108.9° | 109.5° |
| O17 | C10 | N18 | 121.9° | 120.0° |
| O17 | C10 | C4 | 121.4° | 119.9° |
| N2 | C8 | C4 | 101.8° | 107.2° |
| C8 | N2 | S1 | 122.7° | 125.6° |
| C8 | N2 | C7 | 106.8° | 108.7° |
| N2 | C8 | H5 | 111.3° | 109.9° |
| N2 | C8 | H6 | 111.3° | 109.9° |
| C8 | C4 | C10 | 111.8° | 110.8° |
| C8 | C4 | C3 | 99.6° | 103.0° |
| C8 | C4 | H2 | 110.7° | 110.7° |
| C4 | C8 | H5 | 111.4° | 109.9° |
| C4 | C8 | H6 | 111.4° | 109.9° |
| C27 | C15 | C6 | 121.8° | 120.0° |
| C15 | C27 | C29 | 119.7° | 119.9° |
| C15 | C27 | H21 | 120.1° | 120.0° |
| C15 | C6 | S1 | 124.1° | 120.0° |
| C15 | C6 | C21 | 117.5° | 120.0° |
| C27 | C29 | C28 | 118.8° | 120.0° |
| C29 | C27 | H21 | 120.1° | 120.0° |
| C27 | C29 | H23 | 120.6° | 120.0° |
| O12 | S1 | N2 | 107.1° | 106.4° |
| O12 | S1 | C6 | 109.6° | 106.4° |
| O12 | S1 | O13 | 122.3° | 123.1° |
| C24 | N18 | C10 | 122.1° | 120.0° |
| C24 | N18 | H9 | 118.9° | 120.0° |
| N18 | C24 | H15 | 108.9° | 109.4° |
| N18 | C24 | H16 | 108.9° | 109.5° |
| N18 | C10 | C4 | 116.6° | 120.0° |
| C10 | N18 | H9 | 119.0° | 120.0° |
| C10 | C4 | C3 | 113.0° | 110.7° |
| C10 | C4 | H2 | 110.9° | 110.6° |
| S1 | N2 | C7 | 121.4° | 125.7° |
| N2 | S1 | C6 | 105.1° | 107.2° |
| N2 | S1 | O13 | 104.2° | 106.4° |
| N2 | C7 | C3 | 106.0° | 104.9° |
| N2 | C7 | H3 | 110.3° | 110.3° |
| N2 | C7 | H4 | 110.3° | 110.4° |
| C4 | C3 | C7 | 101.8° | 101.5° |
| C4 | C3 | C5 | 114.2° | 110.9° |
| C4 | C3 | H1 | 108.8° | 111.1° |
| C3 | C4 | H2 | 110.4° | 110.7° |
| C6 | S1 | O13 | 107.3° | 106.4° |
| S1 | C6 | C21 | 118.3° | 120.0° |
| C6 | C21 | C28 | 120.4° | 120.0° |
| C6 | C21 | H10 | 119.8° | 120.0° |
| C29 | C28 | C21 | 121.7° | 120.0° |
| C29 | C28 | H22 | 119.1° | 120.0° |
| C28 | C29 | H23 | 120.6° | 120.0° |
| C7 | C3 | C5 | 113.7° | 111.0° |
| C7 | C3 | H1 | 108.8° | 111.1° |
| C3 | C7 | H3 | 110.3° | 110.3° |
| C3 | C7 | H4 | 110.3° | 110.4° |
| C3 | C5 | N9 | 121.6° | 120.0° |
| C3 | C5 | O16 | 118.7° | 120.0° |
| C5 | C3 | H1 | 109.2° | 110.9° |
| C22 | C26 | O19 | 108.3° | 109.2° |
| C26 | C22 | N9 | 110.0° | 108.4° |
| C26 | C22 | H11 | 109.4° | 109.7° |
| C26 | C22 | H12 | 109.4° | 109.7° |
| C22 | C26 | H19 | 109.8° | 109.6° |
| C22 | C26 | H20 | 109.8° | 109.6° |
| C26 | O19 | C25 | 117.3° | 114.3° |
| O19 | C26 | H19 | 109.8° | 109.6° |
| O19 | C26 | H20 | 109.8° | 109.4° |
| C22 | N9 | C5 | 123.4° | 121.0° |
| C22 | N9 | C23 | 116.9° | 118.0° |
| N9 | C22 | H11 | 109.3° | 109.7° |
| N9 | C22 | H12 | 109.3° | 109.7° |
| C28 | C21 | H10 | 119.8° | 120.0° |
| C21 | C28 | H22 | 119.1° | 120.0° |
| N9 | C5 | O16 | 119.7° | 120.0° |
| C5 | N9 | C23 | 119.7° | 121.0° |
| N9 | C23 | C25 | 109.0° | 108.4° |
| N9 | C23 | H13 | 109.6° | 109.7° |
| N9 | C23 | H14 | 109.6° | 109.7° |
| O19 | C25 | C23 | 108.2° | 109.2° |
| O19 | C25 | H17 | 109.8° | 109.5° |
| O19 | C25 | H18 | 109.8° | 109.5° |
| C25 | C23 | H13 | 109.6° | 109.7° |
| C25 | C23 | H14 | 109.6° | 109.7° |
| C23 | C25 | H17 | 109.8° | 109.3° |
| C23 | C25 | H18 | 109.8° | 109.7° |
| H3 | C7 | H4 | 109.5° | 110.4° |
| H5 | C8 | H6 | 109.5° | 110.0° |
| H11 | C22 | H12 | 109.4° | 109.7° |
| H13 | C23 | H14 | 109.5° | 109.7° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C15 | C27 | C6 | 178.5° | 180.0° |
| CL1 | C15 | C27 | C29 | 177.9° | 180.0° |
| CL1 | C15 | C6 | S1 | 0.2° | 0.1° |
| CL1 | C15 | C6 | C21 | 176.7° | 179.7° |
| CL1 | C15 | C27 | H21 | 2.0° | 0.0° |
| N11 | C14 | C24 | H8 | 180.0° | 180.0° |
| N11 | C14 | C24 | N18 | 165.9° | 125.0° |
| N11 | C14 | C24 | H15 | 45.6° | 115.0° |
| N11 | C14 | C24 | H16 | 73.8° | 5.0° |
| C14 | C24 | N18 | H15 | 120.3° | 120.0° |
| C14 | C24 | N18 | H16 | 120.3° | 120.0° |
| C14 | C24 | N18 | C10 | 94.2° | 180.0° |
| C24 | C14 | N11 | H7 | 0.0° | 0.1° |
| C14 | C24 | N18 | H9 | 85.8° | 0.0° |
| C14 | C24 | H15 | H16 | 119.0° | 120.0° |
| O17 | C10 | C4 | C8 | 67.4° | 113.7° |
| O17 | C10 | N18 | C24 | 3.6° | 0.0° |
| O17 | C10 | N18 | C4 | 177.4° | 180.0° |
| O17 | C10 | C4 | C3 | 44.1° | 0.0° |
| O17 | C10 | C4 | H2 | 168.6° | 123.1° |
| O17 | C10 | N18 | H9 | 176.4° | 180.0° |
| N2 | C8 | C4 | H5 | 118.8° | 119.4° |
| N2 | C8 | C4 | H6 | 118.7° | 119.4° |
| C8 | N2 | S1 | O12 | 36.7° | 15.9° |
| N2 | C8 | C4 | C10 | 168.1° | 140.5° |
| C8 | N2 | S1 | C7 | 142.7° | 179.7° |
| N2 | C8 | C4 | C3 | 48.5° | 22.1° |
| C8 | N2 | S1 | C6 | 153.3° | 97.7° |
| C8 | N2 | S1 | O13 | 94.1° | 148.8° |
| C8 | N2 | C7 | C3 | 11.6° | 24.4° |
| N2 | C8 | C4 | H2 | 67.7° | 96.3° |
| C8 | N2 | C7 | H3 | 107.9° | 143.2° |
| C8 | N2 | C7 | H4 | 131.0° | 94.5° |
| N2 | C8 | H5 | H6 | 123.5° | 121.1° |
| C8 | C4 | C10 | N18 | 110.1° | 66.4° |
| C8 | C4 | C10 | C3 | 111.4° | 113.6° |
| C8 | C4 | C10 | H2 | 124.0° | 123.2° |
| C4 | C8 | N2 | S1 | 109.4° | 179.0° |
| C4 | C8 | N2 | C7 | 37.9° | 1.3° |
| C8 | C4 | C3 | H2 | 116.4° | 118.4° |
| C8 | C4 | C3 | C7 | 40.6° | 35.5° |
| C8 | C4 | C3 | C5 | 163.6° | 153.5° |
| C8 | C4 | C3 | H1 | 74.2° | 82.7° |
| C4 | C8 | H5 | H6 | 123.6° | 121.2° |
| C15 | C27 | C29 | H21 | 180.0° | 180.0° |
| C27 | C15 | C6 | S1 | 178.6° | 180.0° |
| C27 | C15 | C6 | C21 | 1.6° | 0.2° |
| C15 | C27 | C29 | C28 | 0.3° | 0.3° |
| C15 | C27 | C29 | H23 | 179.6° | 180.0° |
| C6 | C15 | C27 | C29 | 0.5° | 0.0° |
| C15 | C6 | S1 | O12 | 42.6° | 45.9° |
| C15 | C6 | S1 | N2 | 72.2° | 67.6° |
| C15 | C6 | S1 | C21 | 176.9° | 179.8° |
| C15 | C6 | S1 | O13 | 177.4° | 178.8° |
| C15 | C6 | C21 | C28 | 2.6° | 0.1° |
| C15 | C6 | C21 | H10 | 177.4° | 179.7° |
| C6 | C15 | C27 | H21 | 179.5° | 180.0° |
| C27 | C29 | C28 | H23 | 180.0° | 179.6° |
| C27 | C29 | C28 | C21 | 1.4° | 0.4° |
| C27 | C29 | C28 | H22 | 178.6° | 179.7° |
| O12 | S1 | N2 | C6 | 116.5° | 113.5° |
| O12 | S1 | N2 | O13 | 130.8° | 132.9° |
| O12 | S1 | N2 | C7 | 179.4° | 163.8° |
| O12 | S1 | C6 | O13 | 134.7° | 132.9° |
| O12 | S1 | C6 | C21 | 140.5° | 133.9° |
| C24 | N18 | C10 | H9 | 180.0° | 180.0° |
| C24 | N18 | C10 | C4 | 178.9° | 180.0° |
| N18 | C24 | C14 | H8 | 14.1° | 55.0° |
| N18 | C24 | H15 | H16 | 119.0° | 120.0° |
| N18 | C10 | C4 | C3 | 138.5° | 180.0° |
| N18 | C10 | C4 | H2 | 14.0° | 56.9° |
| C10 | N18 | C24 | H15 | 145.5° | 60.0° |
| C10 | N18 | C24 | H16 | 26.1° | 60.0° |
| C10 | C4 | C3 | H2 | 124.8° | 123.1° |
| C10 | C4 | C3 | C7 | 159.3° | 154.0° |
| C10 | C4 | C3 | C5 | 77.7° | 88.0° |
| C10 | C4 | C3 | H1 | 44.6° | 35.9° |
| C10 | C4 | C8 | H5 | 73.1° | 100.1° |
| C10 | C4 | C8 | H6 | 49.4° | 21.1° |
| C4 | C10 | N18 | H9 | 1.0° | 0.0° |
| N2 | S1 | C6 | O13 | 110.4° | 113.5° |
| N2 | S1 | C6 | C21 | 104.7° | 112.6° |
| S1 | N2 | C7 | C3 | 136.2° | 155.9° |
| S1 | N2 | C7 | H3 | 104.3° | 37.1° |
| S1 | N2 | C7 | H4 | 16.8° | 85.2° |
| S1 | N2 | C8 | H5 | 9.4° | 61.6° |
| S1 | N2 | C8 | H6 | 131.8° | 59.6° |
| N2 | C7 | C3 | C4 | 18.8° | 37.2° |
| C7 | N2 | S1 | C6 | 64.0° | 82.6° |
| C7 | N2 | S1 | O13 | 48.6° | 30.9° |
| N2 | C7 | C3 | H3 | 119.5° | 118.8° |
| N2 | C7 | C3 | H4 | 119.5° | 118.9° |
| N2 | C7 | C3 | C5 | 142.1° | 155.1° |
| N2 | C7 | C3 | H1 | 95.9° | 81.0° |
| N2 | C7 | H3 | H4 | 121.6° | 122.3° |
| C7 | N2 | C8 | H5 | 156.7° | 118.1° |
| C7 | N2 | C8 | H6 | 80.9° | 120.7° |
| C4 | C3 | C7 | C5 | 123.3° | 117.9° |
| C4 | C3 | C7 | H1 | 114.7° | 118.2° |
| C4 | C3 | C5 | H1 | 122.0° | 124.0° |
| C4 | C3 | C5 | N9 | 160.5° | 173.5° |
| C4 | C3 | C5 | O16 | 16.3° | 6.5° |
| C4 | C3 | C7 | H3 | 138.3° | 156.0° |
| C4 | C3 | C7 | H4 | 100.7° | 81.8° |
| C3 | C4 | C8 | H5 | 167.2° | 141.4° |
| C3 | C4 | C8 | H6 | 70.2° | 97.3° |
| S1 | C6 | C21 | C28 | 179.7° | 180.0° |
| S1 | C6 | C21 | H10 | 0.3° | 0.1° |
| O13 | S1 | C6 | C21 | 5.7° | 1.0° |
| C6 | C21 | C28 | C29 | 2.6° | 0.2° |
| C6 | C21 | C28 | H10 | 180.0° | 179.9° |
| C6 | C21 | C28 | H22 | 177.4° | 180.0° |
| C29 | C28 | C21 | H22 | 180.0° | 179.9° |
| C29 | C28 | C21 | H10 | 177.4° | 180.0° |
| C28 | C29 | C27 | H21 | 179.7° | 179.6° |
| C7 | C3 | C5 | H1 | 121.7° | 124.0° |
| C7 | C3 | C5 | N9 | 83.2° | 61.5° |
| C7 | C3 | C5 | O16 | 99.9° | 118.5° |
| C7 | C3 | C4 | H2 | 75.9° | 82.9° |
| C3 | C7 | H3 | H4 | 121.6° | 122.3° |
| C3 | C5 | N9 | C22 | 3.8° | 0.3° |
| C3 | C5 | N9 | O16 | 176.8° | 180.0° |
| C3 | C5 | N9 | C23 | 179.5° | 180.0° |
| C5 | C3 | C4 | H2 | 47.1° | 35.1° |
| C5 | C3 | C7 | H3 | 98.4° | 86.1° |
| C5 | C3 | C7 | H4 | 22.7° | 36.2° |
| C22 | C26 | O19 | H19 | 119.8° | 120.0° |
| C22 | C26 | O19 | H20 | 119.8° | 119.9° |
| C26 | C22 | N9 | H11 | 120.1° | 119.7° |
| C26 | C22 | N9 | H12 | 120.1° | 119.8° |
| C26 | C22 | N9 | C5 | 134.3° | 129.5° |
| C26 | C22 | N9 | C23 | 49.9° | 50.8° |
| C22 | C26 | O19 | C25 | 60.2° | 62.3° |
| C26 | C22 | H11 | H12 | 119.8° | 120.6° |
| C22 | C26 | H19 | H20 | 120.5° | 120.2° |
| O19 | C26 | C22 | N9 | 49.5° | 52.2° |
| C26 | O19 | C25 | C23 | 62.1° | 62.3° |
| O19 | C26 | C22 | H11 | 70.6° | 171.9° |
| O19 | C26 | C22 | H12 | 169.6° | 67.5° |
| C26 | O19 | C25 | H17 | 57.7° | 57.4° |
| C26 | O19 | C25 | H18 | 178.1° | 177.5° |
| O19 | C26 | H19 | H20 | 120.6° | 120.0° |
| C22 | N9 | C5 | C23 | 175.6° | 179.7° |
| C22 | N9 | C5 | O16 | 179.3° | 179.7° |
| C22 | N9 | C23 | C25 | 51.2° | 50.8° |
| N9 | C22 | H11 | H12 | 119.7° | 120.5° |
| C22 | N9 | C23 | H13 | 68.7° | 68.9° |
| C22 | N9 | C23 | H14 | 171.2° | 170.5° |
| N9 | C22 | C26 | H19 | 70.3° | 172.2° |
| N9 | C22 | C26 | H20 | 169.3° | 67.6° |
| C21 | C28 | C29 | H23 | 178.6° | 180.0° |
| C5 | N9 | C23 | C25 | 132.9° | 129.5° |
| N9 | C5 | C3 | H1 | 38.5° | 62.5° |
| C5 | N9 | C22 | H11 | 105.6° | 9.8° |
| C5 | N9 | C22 | H12 | 14.2° | 110.7° |
| C5 | N9 | C23 | H13 | 107.2° | 110.8° |
| C5 | N9 | C23 | H14 | 12.9° | 9.8° |
| O16 | C5 | N9 | C23 | 3.7° | 0.0° |
| O16 | C5 | C3 | H1 | 138.4° | 117.5° |
| N9 | C23 | C25 | O19 | 52.5° | 52.3° |
| N9 | C23 | C25 | H13 | 119.9° | 119.8° |
| N9 | C23 | C25 | H14 | 119.9° | 119.7° |
| C23 | N9 | C22 | H11 | 70.2° | 170.6° |
| C23 | N9 | C22 | H12 | 170.0° | 68.9° |
| N9 | C23 | H13 | H14 | 120.2° | 120.6° |
| N9 | C23 | C25 | H17 | 67.3° | 67.5° |
| N9 | C23 | C25 | H18 | 172.3° | 172.4° |
| O19 | C25 | C23 | H17 | 119.8° | 119.8° |
| O19 | C25 | C23 | H18 | 119.8° | 120.1° |
| O19 | C25 | C23 | H13 | 67.4° | 67.5° |
| O19 | C25 | C23 | H14 | 172.4° | 172.0° |
| O19 | C25 | H17 | H18 | 120.6° | 120.1° |
| C25 | O19 | C26 | H19 | 59.5° | 177.7° |
| C25 | O19 | C26 | H20 | 179.9° | 57.6° |
| C25 | C23 | H13 | H14 | 120.2° | 120.5° |
| C23 | C25 | H17 | H18 | 120.6° | 120.3° |
| H1 | C3 | C4 | H2 | 169.4° | 159.0° |
| H1 | C3 | C7 | H3 | 23.5° | 37.8° |
| H1 | C3 | C7 | H4 | 144.6° | 160.0° |
| H2 | C4 | C8 | H5 | 51.0° | 23.1° |
| H2 | C4 | C8 | H6 | 173.6° | 144.3° |
| H7 | N11 | C14 | H8 | 180.0° | 180.0° |
| H8 | C14 | C24 | H15 | 134.4° | 65.0° |
| H8 | C14 | C24 | H16 | 106.2° | 175.0° |
| H9 | N18 | C24 | H15 | 34.5° | 120.0° |
| H9 | N18 | C24 | H16 | 153.8° | 120.1° |
| H10 | C21 | C28 | H22 | 2.6° | 0.1° |
| H11 | C22 | C26 | H19 | 169.6° | 68.1° |
| H11 | C22 | C26 | H20 | 49.2° | 52.1° |
| H12 | C22 | C26 | H19 | 49.8° | 52.4° |
| H12 | C22 | C26 | H20 | 70.6° | 172.6° |
| H13 | C23 | C25 | H17 | 172.8° | 172.7° |
| H13 | C23 | C25 | H18 | 52.4° | 52.6° |
| H14 | C23 | C25 | H17 | 52.6° | 52.2° |
| H14 | C23 | C25 | H18 | 67.8° | 67.9° |
| H21 | C27 | C29 | H23 | 0.3° | 0.0° |
| H22 | C28 | C29 | H23 | 1.4° | 0.1° |
