EN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | O10 | sing | 1.34Å | 1.37Å | Aromatic |
| C34 | N13 | doub | 1.31Å | 1.33Å | Aromatic |
| O10 | N14 | sing | 1.21Å | 1.33Å | Aromatic |
| N13 | C33 | sing | 1.35Å | 1.46Å | Aromatic |
| N14 | C33 | doub | 1.31Å | 1.37Å | Aromatic |
| C33 | C29 | sing | 1.48Å | 1.61Å | |
| C29 | C28 | doub | 1.39Å | 1.42Å | Aromatic |
| C29 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C28 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C27 | C23 | doub | 1.38Å | 1.44Å | Aromatic |
| C24 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C20 | sing | 1.39Å | 1.45Å | Aromatic |
| C23 | F06 | sing | 1.35Å | 1.32Å | |
| O07 | S02 | doub | 1.42Å | 1.42Å | |
| O08 | S02 | doub | 1.42Å | 1.42Å | |
| C20 | C17 | sing | 1.51Å | 1.62Å | |
| S02 | N11 | sing | 1.66Å | 1.76Å | |
| S02 | C21 | sing | 1.76Å | 1.90Å | |
| C17 | N11 | sing | 1.47Å | 1.55Å | |
| N11 | C15 | sing | 1.46Å | 1.56Å | |
| C25 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| F03 | C22 | sing | 1.40Å | 1.32Å | |
| C30 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C15 | C19 | sing | 1.51Å | 1.59Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C22 | F04 | sing | 1.40Å | 1.30Å | |
| C22 | F05 | sing | 1.40Å | 1.32Å | |
| C22 | C18 | sing | 1.53Å | 1.58Å | |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | CL1 | sing | 1.74Å | 1.81Å | |
| C19 | O09 | doub | 1.21Å | 1.22Å | |
| C19 | N12 | sing | 1.35Å | 1.38Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| N12 | H2 | sing | 0.97Å | 1.00Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C34 | N13 | 109.8° | 107.1° |
| C34 | O10 | N14 | 108.5° | 110.0° |
| O10 | C34 | H17 | 125.1° | 126.4° |
| C34 | N13 | C33 | 106.8° | 105.6° |
| N13 | C34 | H17 | 125.1° | 126.4° |
| O10 | N14 | C33 | 110.5° | 110.1° |
| N13 | C33 | N14 | 104.4° | 107.2° |
| N13 | C33 | C29 | 125.9° | 126.4° |
| N14 | C33 | C29 | 129.7° | 126.4° |
| C33 | C29 | C28 | 124.4° | 120.1° |
| C33 | C29 | C27 | 122.5° | 120.1° |
| C28 | C29 | C27 | 113.1° | 119.8° |
| C29 | C28 | C24 | 123.5° | 119.9° |
| C29 | C28 | H8 | 118.2° | 120.1° |
| C29 | C27 | C23 | 123.3° | 119.9° |
| C29 | C27 | H14 | 118.3° | 120.0° |
| C28 | C24 | C20 | 124.5° | 120.2° |
| C28 | C24 | H6 | 117.7° | 119.9° |
| C24 | C28 | H8 | 118.3° | 120.0° |
| C27 | C23 | C20 | 123.4° | 120.0° |
| C27 | C23 | F06 | 117.5° | 120.0° |
| C23 | C27 | H14 | 118.4° | 120.1° |
| C24 | C20 | C23 | 112.2° | 120.2° |
| C24 | C20 | C17 | 122.7° | 119.9° |
| C20 | C24 | H6 | 117.7° | 119.9° |
| C20 | C23 | F06 | 119.1° | 120.0° |
| C23 | C20 | C17 | 125.1° | 119.9° |
| O07 | S02 | O08 | 107.9° | 123.1° |
| O07 | S02 | N11 | 109.3° | 106.4° |
| O07 | S02 | C21 | 111.4° | 106.4° |
| O08 | S02 | N11 | 105.1° | 106.4° |
| O08 | S02 | C21 | 112.4° | 106.4° |
| C20 | C17 | N11 | 117.3° | 109.5° |
| C20 | C17 | H4 | 107.5° | 109.5° |
| C20 | C17 | H5 | 107.5° | 109.5° |
| N11 | S02 | C21 | 110.6° | 107.2° |
| S02 | N11 | C17 | 119.0° | 120.0° |
| S02 | N11 | C15 | 123.8° | 120.0° |
| S02 | C21 | C25 | 124.1° | 120.0° |
| S02 | C21 | C26 | 122.7° | 120.0° |
| C17 | N11 | C15 | 117.2° | 120.0° |
| N11 | C17 | H4 | 107.5° | 109.5° |
| N11 | C17 | H5 | 107.5° | 109.4° |
| N11 | C15 | C16 | 111.7° | 109.5° |
| N11 | C15 | C19 | 115.7° | 109.5° |
| N11 | C15 | H3 | 107.6° | 109.5° |
| C21 | C25 | C30 | 124.7° | 120.0° |
| C25 | C21 | C26 | 113.2° | 120.0° |
| C21 | C25 | H13 | 117.6° | 120.0° |
| C25 | C30 | C32 | 117.6° | 120.0° |
| C30 | C25 | H13 | 117.6° | 120.0° |
| C25 | C30 | H15 | 121.2° | 120.0° |
| C21 | C26 | C31 | 124.5° | 120.0° |
| C21 | C26 | H7 | 117.8° | 120.0° |
| F03 | C22 | F04 | 106.0° | 109.5° |
| F03 | C22 | F05 | 105.9° | 109.5° |
| F03 | C22 | C18 | 112.0° | 109.5° |
| C30 | C32 | C31 | 122.0° | 119.9° |
| C30 | C32 | CL1 | 119.2° | 120.0° |
| C32 | C30 | H15 | 121.2° | 120.0° |
| C26 | C31 | C32 | 118.0° | 120.0° |
| C31 | C26 | H7 | 117.7° | 120.0° |
| C26 | C31 | H16 | 121.0° | 120.0° |
| C16 | C15 | C19 | 106.9° | 109.4° |
| C15 | C16 | C18 | 116.9° | 109.4° |
| C16 | C15 | H3 | 107.4° | 109.4° |
| C15 | C16 | H9 | 107.6° | 109.5° |
| C15 | C16 | H10 | 107.6° | 109.4° |
| C15 | C19 | O09 | 117.3° | 120.0° |
| C15 | C19 | N12 | 123.9° | 120.0° |
| C19 | C15 | H3 | 107.2° | 109.5° |
| C16 | C18 | C22 | 112.3° | 109.5° |
| C18 | C16 | H9 | 107.6° | 109.5° |
| C18 | C16 | H10 | 107.6° | 109.5° |
| C16 | C18 | H11 | 108.7° | 109.5° |
| C16 | C18 | H12 | 108.8° | 109.5° |
| F04 | C22 | F05 | 106.0° | 109.5° |
| F04 | C22 | C18 | 113.5° | 109.4° |
| F05 | C22 | C18 | 112.9° | 109.5° |
| C22 | C18 | H11 | 108.8° | 109.4° |
| C22 | C18 | H12 | 108.8° | 109.5° |
| C31 | C32 | CL1 | 118.9° | 120.0° |
| C32 | C31 | H16 | 121.0° | 119.9° |
| O09 | C19 | N12 | 118.8° | 120.0° |
| C19 | N12 | H1 | 120.0° | 120.0° |
| C19 | N12 | H2 | 120.0° | 120.0° |
| H1 | N12 | H2 | 120.0° | 120.0° |
| H4 | C17 | H5 | 109.4° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C34 | N13 | H17 | 180.0° | 179.9° |
| O10 | C34 | N13 | C33 | 0.1° | 0.2° |
| C34 | O10 | N14 | C33 | 0.2° | 0.1° |
| N13 | C34 | O10 | N14 | 0.0° | 0.1° |
| C34 | N13 | C33 | N14 | 0.2° | 0.3° |
| C34 | N13 | C33 | C29 | 179.9° | 180.0° |
| O10 | N14 | C33 | N13 | 0.2° | 0.2° |
| O10 | N14 | C33 | C29 | 179.8° | 180.0° |
| N14 | O10 | C34 | H17 | 180.0° | 180.0° |
| N13 | C33 | N14 | C29 | 179.6° | 179.7° |
| N13 | C33 | C29 | C28 | 14.6° | 180.0° |
| N13 | C33 | C29 | C27 | 165.0° | 0.3° |
| C33 | N13 | C34 | H17 | 179.8° | 179.9° |
| N14 | C33 | C29 | C28 | 165.9° | 0.3° |
| N14 | C33 | C29 | C27 | 14.5° | 180.0° |
| C33 | C29 | C28 | C27 | 179.6° | 179.7° |
| C33 | C29 | C28 | C24 | 179.8° | 180.0° |
| C33 | C29 | C27 | C23 | 180.0° | 180.0° |
| C33 | C29 | C28 | H8 | 0.2° | 0.0° |
| C33 | C29 | C27 | H14 | 0.1° | 0.0° |
| C29 | C28 | C24 | H8 | 180.0° | 179.9° |
| C28 | C29 | C27 | C23 | 0.3° | 0.4° |
| C29 | C28 | C24 | C20 | 0.1° | 0.1° |
| C29 | C28 | C24 | H6 | 179.9° | 180.0° |
| C28 | C29 | C27 | H14 | 179.7° | 179.7° |
| C27 | C29 | C28 | C24 | 0.2° | 0.4° |
| C29 | C27 | C23 | H14 | 180.0° | 179.9° |
| C29 | C27 | C23 | C20 | 0.4° | 0.0° |
| C29 | C27 | C23 | F06 | 179.9° | 180.0° |
| C27 | C29 | C28 | H8 | 179.8° | 179.7° |
| C28 | C24 | C20 | H6 | 180.0° | 179.9° |
| C28 | C24 | C20 | C23 | 0.1° | 0.2° |
| C28 | C24 | C20 | C17 | 179.9° | 179.9° |
| C27 | C23 | C20 | C24 | 0.3° | 0.3° |
| C27 | C23 | C20 | F06 | 179.7° | 180.0° |
| C27 | C23 | C20 | C17 | 180.0° | 179.9° |
| C24 | C20 | C23 | C17 | 179.8° | 179.7° |
| C24 | C20 | C23 | F06 | 180.0° | 179.7° |
| C24 | C20 | C17 | N11 | 117.3° | 108.9° |
| C24 | C20 | C17 | H4 | 3.8° | 131.1° |
| C24 | C20 | C17 | H5 | 121.5° | 11.1° |
| C20 | C24 | C28 | H8 | 179.9° | 180.0° |
| C23 | C20 | C17 | N11 | 62.9° | 71.4° |
| C23 | C20 | C17 | H4 | 175.9° | 48.6° |
| C23 | C20 | C17 | H5 | 58.2° | 168.6° |
| C23 | C20 | C24 | H6 | 179.9° | 179.7° |
| C20 | C23 | C27 | H14 | 179.6° | 180.0° |
| F06 | C23 | C20 | C17 | 0.3° | 0.1° |
| F06 | C23 | C27 | H14 | 0.1° | 0.0° |
| O07 | S02 | O08 | N11 | 116.6° | 123.0° |
| O07 | S02 | O08 | C21 | 123.2° | 122.9° |
| O07 | S02 | N11 | C21 | 123.0° | 113.5° |
| O07 | S02 | N11 | C17 | 3.5° | 15.2° |
| O07 | S02 | N11 | C15 | 176.2° | 164.7° |
| O07 | S02 | C21 | C25 | 9.8° | 23.3° |
| O07 | S02 | C21 | C26 | 170.0° | 156.5° |
| O08 | S02 | N11 | C21 | 121.5° | 113.5° |
| O08 | S02 | N11 | C17 | 119.0° | 148.2° |
| O08 | S02 | N11 | C15 | 60.6° | 31.8° |
| O08 | S02 | C21 | C25 | 131.0° | 156.2° |
| O08 | S02 | C21 | C26 | 48.8° | 23.6° |
| C20 | C17 | N11 | S02 | 58.6° | 105.3° |
| C20 | C17 | N11 | H4 | 121.2° | 120.1° |
| C20 | C17 | N11 | H5 | 121.1° | 120.0° |
| C20 | C17 | N11 | C15 | 121.0° | 74.6° |
| C20 | C17 | H4 | H5 | 116.4° | 120.0° |
| C17 | C20 | C24 | H6 | 0.1° | 0.0° |
| S02 | N11 | C17 | C15 | 179.6° | 180.0° |
| N11 | S02 | C21 | C25 | 111.9° | 90.3° |
| N11 | S02 | C21 | C26 | 68.2° | 90.0° |
| S02 | N11 | C15 | C16 | 154.7° | 113.4° |
| S02 | N11 | C15 | C19 | 82.6° | 126.7° |
| S02 | N11 | C15 | H3 | 37.1° | 6.6° |
| S02 | N11 | C17 | H4 | 62.5° | 14.7° |
| S02 | N11 | C17 | H5 | 179.8° | 134.7° |
| C21 | S02 | N11 | C17 | 119.5° | 98.3° |
| C21 | S02 | N11 | C15 | 60.9° | 81.7° |
| S02 | C21 | C25 | C26 | 179.8° | 179.8° |
| S02 | C21 | C25 | C30 | 179.9° | 179.7° |
| S02 | C21 | C26 | C31 | 179.9° | 179.7° |
| S02 | C21 | C26 | H7 | 0.1° | 0.3° |
| S02 | C21 | C25 | H13 | 0.2° | 0.2° |
| C17 | N11 | C15 | C16 | 24.9° | 66.6° |
| C17 | N11 | C15 | C19 | 97.7° | 53.4° |
| C17 | N11 | C15 | H3 | 142.5° | 173.4° |
| N11 | C17 | H4 | H5 | 116.4° | 119.9° |
| N11 | C15 | C16 | C19 | 127.5° | 120.0° |
| N11 | C15 | C16 | H3 | 117.7° | 120.1° |
| N11 | C15 | C19 | H3 | 120.0° | 120.1° |
| N11 | C15 | C16 | C18 | 169.1° | 65.0° |
| N11 | C15 | C19 | O09 | 39.0° | 0.7° |
| N11 | C15 | C19 | N12 | 141.2° | 179.2° |
| C15 | N11 | C17 | H4 | 117.8° | 165.3° |
| C15 | N11 | C17 | H5 | 0.1° | 45.3° |
| N11 | C15 | C16 | H9 | 69.8° | 175.0° |
| N11 | C15 | C16 | H10 | 48.1° | 54.9° |
| C21 | C25 | C30 | H13 | 180.0° | 179.9° |
| C21 | C25 | C30 | C32 | 0.2° | NaN° |
| C25 | C21 | C26 | C31 | 0.3° | 0.1° |
| C25 | C21 | C26 | H7 | 179.7° | 180.0° |
| C21 | C25 | C30 | H15 | 179.8° | 179.9° |
| C30 | C25 | C21 | C26 | 0.3° | 0.1° |
| C25 | C30 | C32 | H15 | 180.0° | 179.9° |
| C25 | C30 | C32 | C31 | 0.1° | 0.0° |
| C25 | C30 | C32 | CL1 | 180.0° | 180.0° |
| C21 | C26 | C31 | H7 | 180.0° | 179.9° |
| C21 | C26 | C31 | C32 | 0.1° | 0.1° |
| C26 | C21 | C25 | H13 | 179.7° | 180.0° |
| C21 | C26 | C31 | H16 | 179.8° | 180.0° |
| F03 | C22 | C18 | C16 | 16.8° | 60.0° |
| F03 | C22 | F04 | F05 | 112.2° | 120.0° |
| F03 | C22 | F04 | C18 | 123.3° | 120.0° |
| F03 | C22 | F05 | C18 | 122.9° | 120.0° |
| F03 | C22 | C18 | H11 | 137.2° | 60.0° |
| F03 | C22 | C18 | H12 | 103.6° | 180.0° |
| C30 | C32 | C31 | C26 | 0.1° | 0.0° |
| C30 | C32 | C31 | CL1 | 179.9° | 180.0° |
| C32 | C30 | C25 | H13 | 179.7° | 179.9° |
| C30 | C32 | C31 | H16 | 179.9° | 179.9° |
| C26 | C31 | C32 | H16 | 180.0° | 179.9° |
| C26 | C31 | C32 | CL1 | 180.0° | 180.0° |
| C16 | C15 | C19 | H3 | 114.9° | 119.9° |
| C15 | C16 | C18 | H9 | 121.1° | 120.0° |
| C15 | C16 | C18 | H10 | 121.1° | 119.9° |
| C15 | C16 | C18 | C22 | 72.3° | 180.0° |
| C16 | C15 | C19 | O09 | 86.1° | 120.7° |
| C16 | C15 | C19 | N12 | 93.8° | 59.3° |
| C15 | C16 | H9 | H10 | 116.7° | 120.0° |
| C15 | C16 | C18 | H11 | 48.1° | 60.0° |
| C15 | C16 | C18 | H12 | 167.3° | 60.0° |
| C19 | C15 | C16 | C18 | 63.3° | 175.0° |
| C15 | C19 | O09 | N12 | 179.8° | 180.0° |
| C15 | C19 | N12 | H1 | 179.8° | 0.1° |
| C15 | C19 | N12 | H2 | 0.2° | 179.7° |
| C19 | C15 | C16 | H9 | 57.7° | 55.0° |
| C19 | C15 | C16 | H10 | 175.6° | 65.0° |
| C16 | C18 | C22 | F04 | 136.7° | 60.0° |
| C16 | C18 | C22 | F05 | 102.6° | 180.0° |
| C16 | C18 | C22 | H11 | 120.4° | 120.0° |
| C16 | C18 | C22 | H12 | 120.4° | 120.1° |
| C18 | C16 | C15 | H3 | 51.4° | 55.1° |
| C18 | C16 | H9 | H10 | 116.6° | 120.0° |
| C16 | C18 | H11 | H12 | 118.7° | 120.1° |
| F04 | C22 | F05 | C18 | 124.8° | 120.0° |
| F04 | C22 | C18 | H11 | 102.9° | 180.0° |
| F04 | C22 | C18 | H12 | 16.3° | 60.0° |
| F05 | C22 | C18 | H11 | 17.8° | 60.0° |
| F05 | C22 | C18 | H12 | 137.0° | 60.0° |
| C22 | C18 | C16 | H9 | 166.6° | 60.0° |
| C22 | C18 | C16 | H10 | 48.8° | 60.1° |
| C22 | C18 | H11 | H12 | 118.7° | 120.0° |
| C32 | C31 | C26 | H7 | 179.8° | 180.0° |
| C31 | C32 | C30 | H15 | 179.9° | 179.9° |
| CL1 | C32 | C30 | H15 | 0.0° | 0.1° |
| CL1 | C32 | C31 | H16 | 0.0° | 0.1° |
| O09 | C19 | N12 | H1 | 0.0° | 179.9° |
| O09 | C19 | N12 | H2 | 180.0° | 0.3° |
| O09 | C19 | C15 | H3 | 159.0° | 119.3° |
| C19 | N12 | H1 | H2 | 180.0° | 179.8° |
| N12 | C19 | C15 | H3 | 21.2° | 60.7° |
| H3 | C15 | C16 | H9 | 172.5° | 65.0° |
| H3 | C15 | C16 | H10 | 69.6° | 175.0° |
| H6 | C24 | C28 | H8 | 0.1° | 0.1° |
| H7 | C26 | C31 | H16 | 0.2° | 0.1° |
| H9 | C16 | C18 | H11 | 72.9° | 60.0° |
| H9 | C16 | C18 | H12 | 46.2° | 180.0° |
| H10 | C16 | C18 | H11 | 169.2° | 180.0° |
| H10 | C16 | C18 | H12 | 71.7° | 60.0° |
| H13 | C25 | C30 | H15 | 0.2° | 0.0° |






