EW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C22 | sing | 1.38Å | 1.34Å | Aromatic |
| N19 | C18 | sing | 1.37Å | 1.31Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.43Å | Aromatic |
| C23 | C26 | sing | 1.38Å | 1.36Å | Aromatic |
| CL2 | C18 | sing | 1.74Å | 1.75Å | |
| C22 | C21 | sing | 1.41Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C17 | sing | 1.47Å | 1.41Å | Aromatic |
| C21 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.52Å | |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.36Å | Aromatic |
| C13 | N14 | sing | 1.34Å | 1.33Å | Aromatic |
| N27 | C16 | doub | 1.32Å | 1.33Å | Aromatic |
| N27 | N01 | sing | 1.40Å | 1.36Å | Aromatic |
| C16 | C09 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | N11 | sing | 1.37Å | 1.30Å | Aromatic |
| N14 | C15 | doub | 1.30Å | 1.35Å | Aromatic |
| C15 | N11 | sing | 1.35Å | 1.35Å | Aromatic |
| N11 | C10 | sing | 1.47Å | 1.47Å | |
| N01 | C02 | sing | 1.40Å | 1.42Å | |
| N01 | C08 | sing | 1.36Å | 1.35Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.52Å | |
| C09 | C08 | doub | 1.35Å | 1.37Å | Aromatic |
| C02 | C07 | doub | 1.39Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N19 | C18 | 108.5° | 110.1° |
| N19 | C22 | C23 | 131.6° | 133.2° |
| N19 | C22 | C21 | 109.4° | 107.4° |
| C22 | N19 | H191 | 125.7° | 125.0° |
| N19 | C18 | CL2 | 120.9° | 125.1° |
| N19 | C18 | C17 | 110.5° | 109.8° |
| C18 | N19 | H191 | 125.7° | 124.9° |
| C22 | C23 | C26 | 121.1° | 119.9° |
| C23 | C22 | C21 | 119.0° | 119.4° |
| C22 | C23 | H231 | 119.4° | 120.0° |
| C23 | C26 | C25 | 120.0° | 120.7° |
| C23 | C26 | H261 | 120.0° | 119.7° |
| C26 | C23 | H231 | 119.5° | 120.0° |
| CL2 | C18 | C17 | 128.5° | 125.1° |
| C22 | C21 | C17 | 106.7° | 106.0° |
| C22 | C21 | C24 | 120.5° | 120.0° |
| C18 | C17 | C21 | 104.9° | 106.7° |
| C18 | C17 | C16 | 131.9° | 126.7° |
| C26 | C25 | C24 | 119.4° | 120.3° |
| C25 | C26 | H261 | 120.0° | 119.6° |
| C26 | C25 | H251 | 120.3° | 119.8° |
| C17 | C21 | C24 | 132.8° | 133.9° |
| C21 | C17 | C16 | 123.3° | 126.6° |
| C21 | C24 | C25 | 120.0° | 119.7° |
| C21 | C24 | H241 | 120.0° | 120.1° |
| C17 | C16 | N27 | 119.6° | 126.0° |
| C17 | C16 | C09 | 130.8° | 125.9° |
| C25 | C24 | H241 | 120.0° | 120.2° |
| C24 | C25 | H251 | 120.3° | 119.9° |
| C12 | C13 | N14 | 110.0° | 108.0° |
| C13 | C12 | N11 | 106.5° | 106.9° |
| C12 | C13 | H131 | 125.0° | 126.0° |
| C13 | C12 | H121 | 126.7° | 126.6° |
| C13 | N14 | C15 | 105.6° | 109.2° |
| N14 | C13 | H131 | 125.0° | 126.0° |
| C16 | N27 | N01 | 106.8° | 108.2° |
| N27 | C16 | C09 | 109.5° | 108.1° |
| N27 | N01 | C02 | 121.3° | 126.0° |
| N27 | N01 | C08 | 110.7° | 108.0° |
| C16 | C09 | C10 | 125.4° | 126.1° |
| C16 | C09 | C08 | 105.2° | 107.9° |
| C12 | N11 | C15 | 109.3° | 107.2° |
| C12 | N11 | C10 | 126.0° | 126.4° |
| N11 | C12 | H121 | 126.7° | 126.6° |
| N14 | C15 | N11 | 108.4° | 108.7° |
| N14 | C15 | H151 | 125.8° | 125.6° |
| C15 | N11 | C10 | 124.6° | 126.4° |
| N11 | C15 | H151 | 125.8° | 125.6° |
| N11 | C10 | C09 | 116.5° | 109.4° |
| N11 | C10 | H102 | 107.7° | 109.5° |
| N11 | C10 | H101 | 107.7° | 109.5° |
| C02 | N01 | C08 | 128.0° | 126.0° |
| N01 | C02 | C07 | 122.0° | 120.1° |
| N01 | C02 | C03 | 116.6° | 120.1° |
| N01 | C08 | C09 | 107.8° | 107.8° |
| N01 | C08 | H081 | 126.1° | 126.1° |
| C10 | C09 | C08 | 129.4° | 126.0° |
| C09 | C10 | H102 | 107.7° | 109.4° |
| C09 | C10 | H101 | 107.7° | 109.4° |
| C09 | C08 | H081 | 126.1° | 126.1° |
| C07 | C02 | C03 | 121.2° | 119.8° |
| C02 | C07 | C06 | 119.9° | 119.9° |
| C02 | C07 | H071 | 120.0° | 120.0° |
| C02 | C03 | C04 | 118.8° | 120.0° |
| C02 | C03 | H031 | 120.6° | 120.0° |
| C07 | C06 | C05 | 120.1° | 120.1° |
| C07 | C06 | H061 | 119.9° | 120.0° |
| C06 | C07 | H071 | 120.0° | 120.1° |
| C06 | C05 | C04 | 119.1° | 120.1° |
| C06 | C05 | H051 | 120.4° | 120.0° |
| C05 | C06 | H061 | 119.9° | 119.9° |
| C03 | C04 | C05 | 120.6° | 120.0° |
| C04 | C03 | H031 | 120.6° | 120.0° |
| C03 | C04 | H041 | 119.7° | 120.0° |
| C05 | C04 | H041 | 119.7° | 120.0° |
| C04 | C05 | H051 | 120.5° | 119.9° |
| H102 | C10 | H101 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N19 | C18 | H191 | 180.0° | 179.9° |
| N19 | C22 | C23 | C21 | 177.5° | 180.0° |
| N19 | C22 | C23 | C26 | 179.4° | 180.0° |
| C22 | N19 | C18 | CL2 | 177.6° | 179.8° |
| C22 | N19 | C18 | C17 | 0.6° | 0.3° |
| N19 | C22 | C21 | C17 | 0.9° | 0.0° |
| N19 | C22 | C21 | C24 | 179.7° | 179.9° |
| N19 | C22 | C23 | H231 | 0.6° | 0.1° |
| C18 | N19 | C22 | C23 | 178.6° | 179.8° |
| N19 | C18 | CL2 | C17 | 176.4° | 179.9° |
| C18 | N19 | C22 | C21 | 0.9° | 0.2° |
| N19 | C18 | C17 | C21 | 0.0° | 0.3° |
| N19 | C18 | C17 | C16 | 179.0° | 179.9° |
| C22 | C23 | C26 | H231 | 180.0° | 180.0° |
| C22 | C23 | C26 | C25 | 0.8° | 0.1° |
| C23 | C22 | C21 | C17 | 178.9° | 180.0° |
| C23 | C22 | C21 | C24 | 1.7° | 0.0° |
| C22 | C23 | C26 | H261 | 179.2° | 180.0° |
| C23 | C22 | N19 | H191 | 1.4° | 0.1° |
| C26 | C23 | C22 | C21 | 1.8° | 0.0° |
| C23 | C26 | C25 | H261 | 180.0° | 179.9° |
| C23 | C26 | C25 | C24 | 0.3° | 0.0° |
| C23 | C26 | C25 | H251 | 179.7° | 180.0° |
| CL2 | C18 | C17 | C21 | 176.7° | 179.8° |
| CL2 | C18 | C17 | C16 | 2.3° | 0.1° |
| CL2 | C18 | N19 | H191 | 2.4° | 0.1° |
| C22 | C21 | C17 | C18 | 0.5° | 0.2° |
| C22 | C21 | C17 | C24 | 179.3° | 179.9° |
| C22 | C21 | C17 | C16 | 179.6° | 180.0° |
| C22 | C21 | C24 | C25 | 0.6° | 0.0° |
| C22 | C21 | C24 | H241 | 179.4° | 180.0° |
| C21 | C22 | C23 | H231 | 178.2° | 180.0° |
| C21 | C22 | N19 | H191 | 179.1° | 180.0° |
| C18 | C17 | C21 | C16 | 179.1° | 179.8° |
| C18 | C17 | C21 | C24 | 179.8° | 179.7° |
| C18 | C17 | C16 | N27 | 139.5° | 52.2° |
| C18 | C17 | C16 | C09 | 42.4° | 127.7° |
| C17 | C18 | N19 | H191 | 179.4° | 179.8° |
| C26 | C25 | C24 | C21 | 0.4° | 0.0° |
| C26 | C25 | C24 | H251 | 180.0° | 179.9° |
| C26 | C25 | C24 | H241 | 179.6° | 180.0° |
| C25 | C26 | C23 | H231 | 179.2° | 180.0° |
| C17 | C21 | C24 | C25 | 179.8° | 180.0° |
| C21 | C17 | C16 | N27 | 39.4° | 128.0° |
| C21 | C17 | C16 | C09 | 138.8° | 52.0° |
| C17 | C21 | C24 | H241 | 0.2° | 0.1° |
| C24 | C21 | C17 | C16 | 1.1° | 0.1° |
| C21 | C24 | C25 | H241 | 180.0° | 180.0° |
| C21 | C24 | C25 | H251 | 179.6° | 179.9° |
| C17 | C16 | N27 | C09 | 178.5° | 179.9° |
| C17 | C16 | N27 | N01 | 179.9° | 179.9° |
| C17 | C16 | C09 | C10 | 1.8° | 0.0° |
| C17 | C16 | C09 | C08 | 179.0° | 180.0° |
| C24 | C25 | C26 | H261 | 179.7° | 180.0° |
| C12 | C13 | N14 | H131 | 180.0° | 179.7° |
| C13 | C12 | N11 | H121 | 180.0° | 180.0° |
| C12 | C13 | N14 | C15 | 3.5° | 0.0° |
| C13 | C12 | N11 | C15 | 0.4° | 0.0° |
| C13 | C12 | N11 | C10 | 177.7° | 180.0° |
| N14 | C13 | C12 | N11 | 1.9° | 0.0° |
| C13 | N14 | C15 | N11 | 3.7° | 0.0° |
| C13 | N14 | C15 | H151 | 176.3° | 180.0° |
| N14 | C13 | C12 | H121 | 178.1° | 180.0° |
| C16 | N27 | N01 | C02 | 179.3° | 179.7° |
| C16 | N27 | N01 | C08 | 1.7° | 0.3° |
| N27 | C16 | C09 | C10 | 176.6° | 180.0° |
| N27 | C16 | C09 | C08 | 0.6° | 0.0° |
| N01 | N27 | C16 | C09 | 1.4° | 0.2° |
| N27 | N01 | C02 | C08 | 177.2° | 179.9° |
| N27 | N01 | C08 | C09 | 1.3° | 0.3° |
| N27 | N01 | C02 | C07 | 137.7° | 0.1° |
| N27 | N01 | C02 | C03 | 47.5° | 179.6° |
| N27 | N01 | C08 | H081 | 178.7° | 179.9° |
| C16 | C09 | C10 | N11 | 109.1° | 84.8° |
| C16 | C09 | C08 | N01 | 0.4° | 0.2° |
| C16 | C09 | C10 | C08 | 176.5° | 180.0° |
| C16 | C09 | C10 | H102 | 129.9° | 155.2° |
| C16 | C09 | C10 | H101 | 12.0° | 35.2° |
| C16 | C09 | C08 | H081 | 179.6° | 180.0° |
| C12 | N11 | C15 | N14 | 2.6° | 0.0° |
| C12 | N11 | C15 | C10 | 177.3° | 179.9° |
| C12 | N11 | C10 | C09 | 8.4° | 95.4° |
| C12 | N11 | C10 | H102 | 112.6° | 144.6° |
| C12 | N11 | C10 | H101 | 129.4° | 24.6° |
| N11 | C12 | C13 | H131 | 178.0° | 179.8° |
| C12 | N11 | C15 | H151 | 177.4° | 180.0° |
| N14 | C15 | N11 | H151 | 180.0° | 180.0° |
| N14 | C15 | N11 | C10 | 179.9° | 180.0° |
| C15 | N14 | C13 | H131 | 176.5° | 179.8° |
| C15 | N11 | C10 | C09 | 168.4° | 84.7° |
| C15 | N11 | C10 | H102 | 70.6° | 35.3° |
| C15 | N11 | C10 | H101 | 47.4° | 155.4° |
| C15 | N11 | C12 | H121 | 179.6° | 180.0° |
| N11 | C10 | C09 | H102 | 121.0° | 120.0° |
| N11 | C10 | C09 | H101 | 121.0° | 120.0° |
| N11 | C10 | C09 | C08 | 74.5° | 95.2° |
| N11 | C10 | H102 | H101 | 116.8° | 120.1° |
| C10 | N11 | C15 | H151 | 0.1° | 0.1° |
| C10 | N11 | C12 | H121 | 2.3° | 0.0° |
| C02 | N01 | C08 | C09 | 178.7° | 179.7° |
| N01 | C02 | C07 | C03 | 174.5° | 179.7° |
| N01 | C02 | C07 | C06 | 179.1° | 179.7° |
| N01 | C02 | C03 | C04 | 178.2° | 179.7° |
| N01 | C02 | C03 | H031 | 1.9° | 0.3° |
| N01 | C02 | C07 | H071 | 0.9° | 0.3° |
| C02 | N01 | C08 | H081 | 1.3° | 0.1° |
| N01 | C08 | C09 | C10 | 177.4° | 179.8° |
| N01 | C08 | C09 | H081 | 180.0° | 179.8° |
| C08 | N01 | C02 | C07 | 45.1° | 180.0° |
| C08 | N01 | C02 | C03 | 129.7° | 0.3° |
| C09 | C10 | H102 | H101 | 116.8° | 120.0° |
| C10 | C09 | C08 | H081 | 2.5° | 0.0° |
| C08 | C09 | C10 | H102 | 46.6° | 24.8° |
| C08 | C09 | C10 | H101 | 164.5° | 144.8° |
| C02 | C07 | C06 | H071 | 180.0° | 180.0° |
| C02 | C07 | C06 | C05 | 4.5° | 0.0° |
| C07 | C02 | C03 | C04 | 3.3° | 0.0° |
| C07 | C02 | C03 | H031 | 176.7° | 180.0° |
| C02 | C07 | C06 | H061 | 175.5° | 179.9° |
| C03 | C02 | C07 | C06 | 4.6° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 2.0° | 0.0° |
| C02 | C03 | C04 | H041 | 178.0° | 180.0° |
| C03 | C02 | C07 | H071 | 175.4° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 3.1° | 0.0° |
| C07 | C06 | C05 | H051 | 176.9° | 180.0° |
| C06 | C05 | C04 | C03 | 1.9° | 0.0° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | H041 | 178.1° | 180.0° |
| C05 | C06 | C07 | H071 | 175.5° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | H051 | 178.1° | 180.0° |
| C05 | C04 | C03 | H031 | 178.0° | 180.0° |
| C04 | C05 | C06 | H061 | 176.8° | 179.9° |
| H131 | C13 | C12 | H121 | 2.0° | 0.3° |
| H241 | C24 | C25 | H251 | 0.4° | 0.0° |
| H261 | C26 | C23 | H231 | 0.8° | 0.0° |
| H261 | C26 | C25 | H251 | 0.3° | 0.1° |
| H031 | C03 | C04 | H041 | 2.0° | 0.0° |
| H041 | C04 | C05 | H051 | 1.9° | 0.0° |
| H051 | C05 | C06 | H061 | 3.2° | 0.0° |
| H061 | C06 | C07 | H071 | 4.5° | 0.0° |
