EW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | N08 | doub | 1.32Å | 1.36Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | N25 | sing | 1.32Å | 1.35Å | Aromatic |
| N08 | C09 | sing | 1.32Å | 1.36Å | Aromatic |
| C27 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.37Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.48Å | 1.44Å | |
| C22 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| N20 | C21 | doub | 1.31Å | 1.38Å | Aromatic |
| N20 | N13 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C11 | sing | 1.47Å | 1.49Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| N13 | C14 | sing | 1.40Å | 1.39Å | |
| N13 | C12 | sing | 1.35Å | 1.41Å | Aromatic |
| C11 | C02 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.42Å | |
| N03 | C04 | sing | 1.47Å | 1.47Å | |
| C02 | O01 | doub | 1.22Å | 1.25Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N08 | C07 | C06 | 122.6° | 120.8° |
| C07 | N08 | C09 | 117.5° | 121.7° |
| N08 | C07 | H071 | 118.7° | 119.6° |
| C07 | C06 | C05 | 120.4° | 119.1° |
| C07 | C06 | H061 | 119.8° | 120.4° |
| C06 | C07 | H071 | 118.7° | 119.6° |
| C27 | C26 | N25 | 123.0° | 120.8° |
| C26 | C27 | C22 | 120.2° | 119.1° |
| C27 | C26 | H261 | 118.5° | 119.5° |
| C26 | C27 | H271 | 119.9° | 120.5° |
| C26 | N25 | C24 | 117.0° | 122.1° |
| N25 | C26 | H261 | 118.5° | 119.6° |
| N08 | C09 | C10 | 122.6° | 120.7° |
| N08 | C09 | H091 | 118.7° | 119.6° |
| C27 | C22 | C21 | 119.6° | 120.9° |
| C27 | C22 | C23 | 116.8° | 118.2° |
| C22 | C27 | H271 | 119.9° | 120.4° |
| N25 | C24 | C23 | 123.2° | 120.8° |
| N25 | C24 | H241 | 118.4° | 119.6° |
| C06 | C05 | C10 | 116.5° | 118.4° |
| C06 | C05 | C04 | 121.3° | 120.8° |
| C05 | C06 | H061 | 119.8° | 120.4° |
| C09 | C10 | C05 | 120.4° | 119.2° |
| C09 | C10 | H101 | 119.8° | 120.4° |
| C10 | C09 | H091 | 118.7° | 119.6° |
| C24 | C23 | C22 | 119.8° | 119.0° |
| C23 | C24 | H241 | 118.4° | 119.6° |
| C24 | C23 | H231 | 120.1° | 120.5° |
| C21 | C22 | C23 | 123.6° | 120.9° |
| C22 | C21 | N20 | 121.4° | 126.5° |
| C22 | C21 | C11 | 131.0° | 126.5° |
| C22 | C23 | H231 | 120.1° | 120.5° |
| C10 | C05 | C04 | 122.2° | 120.8° |
| C05 | C10 | H101 | 119.8° | 120.4° |
| C05 | C04 | N03 | 117.2° | 109.5° |
| C05 | C04 | H041 | 107.5° | 109.5° |
| C05 | C04 | H042 | 107.5° | 109.4° |
| C21 | N20 | N13 | 109.5° | 109.1° |
| N20 | C21 | C11 | 107.6° | 107.0° |
| N20 | N13 | C14 | 126.5° | 125.2° |
| N20 | N13 | C12 | 108.2° | 109.6° |
| C21 | C11 | C02 | 129.5° | 126.8° |
| C21 | C11 | C12 | 105.0° | 106.4° |
| C16 | C15 | C14 | 119.5° | 119.9° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | H151 | 120.2° | 120.0° |
| C15 | C16 | H161 | 120.1° | 120.0° |
| C15 | C14 | N13 | 119.2° | 120.1° |
| C15 | C14 | C19 | 120.4° | 119.9° |
| C14 | C15 | H151 | 120.3° | 120.1° |
| C16 | C17 | C18 | 120.2° | 120.2° |
| C16 | C17 | H171 | 119.9° | 119.9° |
| C17 | C16 | H161 | 120.0° | 120.0° |
| C14 | N13 | C12 | 125.3° | 125.2° |
| N13 | C14 | C19 | 120.4° | 120.1° |
| N13 | C12 | C11 | 109.7° | 107.8° |
| N13 | C12 | H121 | 125.2° | 126.1° |
| C02 | C11 | C12 | 125.5° | 126.8° |
| C11 | C02 | N03 | 125.6° | 120.0° |
| C11 | C02 | O01 | 117.7° | 120.0° |
| C11 | C12 | H121 | 125.2° | 126.1° |
| C14 | C19 | C18 | 119.6° | 119.9° |
| C14 | C19 | H191 | 120.2° | 120.0° |
| C02 | N03 | C04 | 125.9° | 120.0° |
| N03 | C02 | O01 | 116.7° | 120.0° |
| C02 | N03 | H031 | 117.0° | 120.0° |
| N03 | C04 | H041 | 107.5° | 109.5° |
| N03 | C04 | H042 | 107.5° | 109.5° |
| C04 | N03 | H031 | 117.0° | 120.0° |
| C17 | C18 | C19 | 120.4° | 120.1° |
| C18 | C17 | H171 | 119.9° | 119.9° |
| C17 | C18 | H181 | 119.8° | 120.0° |
| C19 | C18 | H181 | 119.8° | 119.9° |
| C18 | C19 | H191 | 120.2° | 120.1° |
| H041 | C04 | H042 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N08 | C07 | C06 | H071 | 180.0° | 179.8° |
| N08 | C07 | C06 | C05 | 0.5° | 0.1° |
| C07 | N08 | C09 | C10 | 0.2° | 0.5° |
| N08 | C07 | C06 | H061 | 179.5° | 180.0° |
| C07 | N08 | C09 | H091 | 179.8° | 179.8° |
| C06 | C07 | N08 | C09 | 0.0° | 0.2° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 0.7° | 0.0° |
| C07 | C06 | C05 | C04 | 179.5° | 180.0° |
| C27 | C26 | N25 | H261 | 180.0° | 180.0° |
| C26 | C27 | C22 | H271 | 180.0° | 180.0° |
| C27 | C26 | N25 | C24 | 0.0° | 0.2° |
| C26 | C27 | C22 | C21 | 178.6° | 180.0° |
| C26 | C27 | C22 | C23 | 1.3° | 0.3° |
| N25 | C26 | C27 | C22 | 0.6° | 0.0° |
| C26 | N25 | C24 | C23 | 0.1° | 0.2° |
| C26 | N25 | C24 | H241 | 179.9° | 179.8° |
| N25 | C26 | C27 | H271 | 179.4° | 179.9° |
| N08 | C09 | C10 | H091 | 180.0° | 179.7° |
| N08 | C09 | C10 | C05 | 0.1° | 0.5° |
| N08 | C09 | C10 | H101 | 179.9° | 179.7° |
| C09 | N08 | C07 | H071 | 180.0° | 180.0° |
| C27 | C22 | C23 | C24 | 1.4° | 0.3° |
| C27 | C22 | C21 | C23 | 177.1° | 179.7° |
| C27 | C22 | C21 | N20 | 106.6° | 144.4° |
| C27 | C22 | C21 | C11 | 70.7° | 35.3° |
| C22 | C27 | C26 | H261 | 179.3° | 180.0° |
| C27 | C22 | C23 | H231 | 178.6° | 179.8° |
| N25 | C24 | C23 | H241 | 180.0° | 180.0° |
| N25 | C24 | C23 | C22 | 0.8° | 0.1° |
| C24 | N25 | C26 | H261 | 180.0° | 179.7° |
| N25 | C24 | C23 | H231 | 179.2° | 180.0° |
| C06 | C05 | C10 | C09 | 0.5° | 0.2° |
| C06 | C05 | C10 | C04 | 178.8° | 180.0° |
| C06 | C05 | C04 | N03 | 4.8° | 90.0° |
| C06 | C05 | C10 | H101 | 179.5° | 180.0° |
| C06 | C05 | C04 | H041 | 116.3° | 30.0° |
| C06 | C05 | C04 | H042 | 125.9° | 150.0° |
| C05 | C06 | C07 | H071 | 179.5° | 179.7° |
| C09 | C10 | C05 | H101 | 180.0° | 179.8° |
| C09 | C10 | C05 | C04 | 179.3° | 179.7° |
| C24 | C23 | C22 | C21 | 178.6° | 180.0° |
| C24 | C23 | C22 | H231 | 180.0° | 179.9° |
| C22 | C21 | N20 | C11 | 177.9° | 179.7° |
| C22 | C21 | N20 | N13 | 178.1° | 179.9° |
| C22 | C21 | C11 | C02 | 2.7° | 0.1° |
| C22 | C21 | C11 | C12 | 177.9° | 180.0° |
| C21 | C22 | C23 | H231 | 1.4° | 0.1° |
| C21 | C22 | C27 | H271 | 1.4° | 0.0° |
| C23 | C22 | C21 | N20 | 70.4° | 35.3° |
| C23 | C22 | C21 | C11 | 112.2° | 145.0° |
| C22 | C23 | C24 | H241 | 179.1° | 179.9° |
| C23 | C22 | C27 | H271 | 178.7° | 179.7° |
| C10 | C05 | C04 | N03 | 176.5° | 90.0° |
| C10 | C05 | C04 | H041 | 62.5° | 150.0° |
| C10 | C05 | C04 | H042 | 55.3° | 30.0° |
| C10 | C05 | C06 | H061 | 179.3° | 180.0° |
| C05 | C10 | C09 | H091 | 180.0° | 179.8° |
| C05 | C04 | N03 | C02 | 81.5° | 180.0° |
| C05 | C04 | N03 | H041 | 121.1° | 120.0° |
| C05 | C04 | N03 | H042 | 121.1° | 119.9° |
| C04 | C05 | C10 | H101 | 0.7° | 0.0° |
| C05 | C04 | H041 | H042 | 116.5° | 120.0° |
| C04 | C05 | C06 | H061 | 0.5° | 0.0° |
| C05 | C04 | N03 | H031 | 98.5° | 0.0° |
| C21 | N20 | N13 | C14 | 179.0° | 179.9° |
| C21 | N20 | N13 | C12 | 0.0° | 0.3° |
| N20 | C21 | C11 | C02 | 179.7° | 179.8° |
| N20 | C21 | C11 | C12 | 0.3° | 0.2° |
| N13 | N20 | C21 | C11 | 0.1° | 0.3° |
| N20 | N13 | C14 | C15 | 139.6° | 0.3° |
| N20 | N13 | C14 | C12 | 178.8° | 179.8° |
| N20 | N13 | C12 | C11 | 0.2° | 0.2° |
| N20 | N13 | C14 | C19 | 40.2° | 179.8° |
| N20 | N13 | C12 | H121 | 179.8° | 179.8° |
| C21 | C11 | C12 | N13 | 0.3° | 0.0° |
| C21 | C11 | C02 | C12 | 179.3° | 180.0° |
| C21 | C11 | C02 | N03 | 9.9° | 180.0° |
| C21 | C11 | C02 | O01 | 169.5° | 0.0° |
| C21 | C11 | C12 | H121 | 179.7° | 180.0° |
| C16 | C15 | C14 | H151 | 180.0° | 179.7° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C16 | C15 | C14 | N13 | 179.9° | 180.0° |
| C16 | C15 | C14 | C19 | 0.3° | 0.1° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H171 | 179.8° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | N13 | C19 | 179.9° | 179.9° |
| C15 | C14 | N13 | C12 | 39.2° | 179.9° |
| C15 | C14 | C19 | C18 | 0.5° | 0.0° |
| C14 | C15 | C16 | H161 | 179.9° | 179.9° |
| C15 | C14 | C19 | H191 | 179.5° | 179.9° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C17 | C16 | C15 | H151 | 179.9° | 179.7° |
| C16 | C17 | C18 | H181 | 180.0° | 180.0° |
| C14 | N13 | C12 | C11 | 178.8° | 180.0° |
| N13 | C14 | C19 | C18 | 179.6° | 180.0° |
| N13 | C14 | C15 | H151 | 0.2° | 0.3° |
| C14 | N13 | C12 | H121 | 1.2° | 0.0° |
| N13 | C14 | C19 | H191 | 0.4° | 0.0° |
| N13 | C12 | C11 | C02 | 179.7° | 180.0° |
| N13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C12 | N13 | C14 | C19 | 140.9° | 0.0° |
| C11 | C02 | N03 | O01 | 179.5° | 180.0° |
| C11 | C02 | N03 | C04 | 179.8° | 180.0° |
| C02 | C11 | C12 | H121 | 0.2° | 0.0° |
| C11 | C02 | N03 | H031 | 0.1° | 0.0° |
| C12 | C11 | C02 | N03 | 169.4° | 0.0° |
| C12 | C11 | C02 | O01 | 11.2° | 180.0° |
| C14 | C19 | C18 | C17 | 0.4° | 0.0° |
| C14 | C19 | C18 | H191 | 180.0° | 180.0° |
| C19 | C14 | C15 | H151 | 179.7° | 179.8° |
| C14 | C19 | C18 | H181 | 179.6° | 179.9° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| C02 | N03 | C04 | H041 | 39.6° | 60.0° |
| C02 | N03 | C04 | H042 | 157.4° | 60.0° |
| C04 | N03 | C02 | O01 | 0.4° | 0.0° |
| N03 | C04 | H041 | H042 | 116.5° | 120.0° |
| O01 | C02 | N03 | H031 | 179.6° | 180.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C18 | C17 | C16 | H161 | 179.7° | 180.0° |
| C17 | C18 | C19 | H191 | 179.6° | 180.0° |
| C19 | C18 | C17 | H171 | 180.0° | 179.9° |
| H101 | C10 | C09 | H091 | 0.0° | 0.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.2° |
| H171 | C17 | C16 | H161 | 0.3° | 0.0° |
| H171 | C17 | C18 | H181 | 0.0° | 0.0° |
| H241 | C24 | C23 | H231 | 0.9° | 0.0° |
| H261 | C26 | C27 | H271 | 0.6° | 0.0° |
| H041 | C04 | N03 | H031 | 140.4° | 120.0° |
| H042 | C04 | N03 | H031 | 22.6° | 120.0° |
| H061 | C06 | C07 | H071 | 0.5° | 0.2° |
| H181 | C18 | C19 | H191 | 0.4° | 0.1° |
