A1ENX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | N15 | sing | 1.47Å | 1.44Å | |
| C13 | N12 | sing | 1.47Å | 1.49Å | |
| N15 | C16 | sing | 1.47Å | 1.45Å | |
| O18 | C11 | doub | 1.22Å | 1.20Å | |
| C28 | S29 | sing | 1.71Å | 1.67Å | Aromatic |
| C28 | N27 | doub | 1.28Å | 1.38Å | Aromatic |
| N12 | C11 | sing | 1.35Å | 1.49Å | |
| N12 | C17 | sing | 1.47Å | 1.47Å | |
| S29 | C25 | sing | 1.76Å | 1.66Å | Aromatic |
| C11 | C10 | sing | 1.46Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| N27 | C26 | sing | 1.35Å | 1.45Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C30 | sing | 1.41Å | 1.44Å | Aromatic |
| C24 | C23 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | S19 | sing | 1.76Å | 1.59Å | Aromatic |
| C10 | C09 | doub | 1.37Å | 1.43Å | Aromatic |
| S19 | C07 | sing | 1.71Å | 1.64Å | Aromatic |
| C30 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | N08 | sing | 1.31Å | 1.45Å | Aromatic |
| C22 | C21 | sing | 1.48Å | 1.55Å | |
| C07 | N08 | doub | 1.30Å | 1.38Å | Aromatic |
| C07 | N06 | sing | 1.38Å | 1.46Å | |
| N20 | C21 | doub | 1.33Å | 1.34Å | Aromatic |
| N20 | C05 | sing | 1.32Å | 1.32Å | Aromatic |
| C21 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | N06 | sing | 1.39Å | 1.49Å | |
| C05 | N04 | doub | 1.32Å | 1.32Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.37Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| N04 | C03 | sing | 1.32Å | 1.32Å | Aromatic |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | N15 | 109.1° | 109.3° |
| C14 | C13 | N12 | 118.9° | 108.5° |
| C14 | C13 | H132 | 107.0° | 109.7° |
| C14 | C13 | H131 | 107.1° | 109.8° |
| C13 | C14 | H142 | 109.6° | 109.5° |
| C13 | C14 | H141 | 109.6° | 109.5° |
| C14 | N15 | C16 | 118.3° | 111.5° |
| N15 | C14 | H142 | 109.6° | 109.5° |
| N15 | C14 | H141 | 109.6° | 109.5° |
| C14 | N15 | H151 | 107.2° | 111.0° |
| C13 | N12 | C11 | 121.5° | 120.9° |
| C13 | N12 | C17 | 117.2° | 118.2° |
| N12 | C13 | H132 | 107.1° | 109.6° |
| N12 | C13 | H131 | 107.1° | 109.6° |
| N15 | C16 | C17 | 117.5° | 109.3° |
| N15 | C16 | H162 | 107.4° | 109.7° |
| N15 | C16 | H161 | 107.4° | 109.5° |
| C16 | N15 | H151 | 107.2° | 111.1° |
| O18 | C11 | N12 | 120.3° | 120.0° |
| O18 | C11 | C10 | 118.8° | 120.0° |
| S29 | C28 | N27 | 109.1° | 111.6° |
| C28 | S29 | C25 | 98.9° | 90.9° |
| S29 | C28 | H281 | 125.4° | 124.2° |
| C28 | N27 | C26 | 110.1° | 117.8° |
| N27 | C28 | H281 | 125.5° | 124.2° |
| C11 | N12 | C17 | 121.3° | 120.9° |
| N12 | C11 | C10 | 121.0° | 120.0° |
| N12 | C17 | C16 | 109.7° | 108.5° |
| N12 | C17 | H172 | 109.4° | 109.6° |
| N12 | C17 | H171 | 109.4° | 109.6° |
| S29 | C25 | C26 | 105.8° | 107.9° |
| S29 | C25 | C24 | 134.5° | 131.6° |
| C11 | C10 | S19 | 125.9° | 126.1° |
| C11 | C10 | C09 | 123.9° | 126.1° |
| C16 | C17 | H172 | 109.4° | 109.6° |
| C16 | C17 | H171 | 109.4° | 109.8° |
| C17 | C16 | H162 | 107.4° | 109.4° |
| C17 | C16 | H161 | 107.4° | 109.4° |
| N27 | C26 | C25 | 116.0° | 111.8° |
| N27 | C26 | C30 | 123.6° | 129.6° |
| C26 | C25 | C24 | 119.7° | 120.5° |
| C25 | C26 | C30 | 120.3° | 118.6° |
| C25 | C24 | C23 | 119.9° | 120.4° |
| C25 | C24 | H241 | 120.0° | 119.8° |
| C26 | C30 | C22 | 120.1° | 120.1° |
| C26 | C30 | H301 | 119.9° | 120.0° |
| C24 | C23 | C22 | 120.7° | 120.1° |
| C23 | C24 | H241 | 120.1° | 119.8° |
| C24 | C23 | H231 | 119.6° | 120.0° |
| S19 | C10 | C09 | 110.2° | 107.8° |
| C10 | S19 | C07 | 98.7° | 90.4° |
| C10 | C09 | N08 | 109.9° | 114.0° |
| C10 | C09 | H091 | 125.0° | 123.0° |
| S19 | C07 | N08 | 109.8° | 110.5° |
| S19 | C07 | N06 | 127.9° | 124.8° |
| C30 | C22 | C23 | 119.3° | 120.3° |
| C30 | C22 | C21 | 120.9° | 119.8° |
| C22 | C30 | H301 | 120.0° | 119.9° |
| C23 | C22 | C21 | 119.9° | 119.8° |
| C22 | C23 | H231 | 119.6° | 120.0° |
| C09 | N08 | C07 | 111.4° | 117.3° |
| N08 | C09 | H091 | 125.0° | 123.0° |
| C22 | C21 | N20 | 119.9° | 120.5° |
| C22 | C21 | C02 | 120.4° | 120.5° |
| N08 | C07 | N06 | 122.3° | 124.7° |
| C07 | N06 | C05 | 125.9° | 120.0° |
| C07 | N06 | H061 | 117.1° | 120.0° |
| C21 | N20 | C05 | 120.1° | 120.6° |
| N20 | C21 | C02 | 119.7° | 119.0° |
| N20 | C05 | N06 | 123.8° | 119.1° |
| N20 | C05 | N04 | 121.5° | 121.8° |
| C21 | C02 | F01 | 123.9° | 120.8° |
| C21 | C02 | C03 | 117.6° | 118.4° |
| N06 | C05 | N04 | 114.7° | 119.1° |
| C05 | N06 | H061 | 117.1° | 120.0° |
| C05 | N04 | C03 | 121.6° | 121.0° |
| F01 | C02 | C03 | 118.4° | 120.8° |
| C02 | C03 | N04 | 119.5° | 119.2° |
| C02 | C03 | H031 | 120.2° | 120.4° |
| N04 | C03 | H031 | 120.2° | 120.4° |
| H132 | C13 | H131 | 109.5° | 109.7° |
| H172 | C17 | H171 | 109.4° | 109.7° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | N15 | H142 | 120.0° | 120.0° |
| C13 | C14 | N15 | H141 | 119.9° | 120.0° |
| C14 | C13 | N12 | H132 | 121.3° | 119.7° |
| C14 | C13 | N12 | H131 | 121.3° | 119.9° |
| C13 | C14 | N15 | C16 | 43.4° | 62.9° |
| C14 | C13 | N12 | C11 | 138.5° | 128.8° |
| C14 | C13 | N12 | C17 | 41.4° | 51.5° |
| C14 | C13 | H132 | H131 | 115.7° | 120.6° |
| C13 | C14 | H142 | H141 | 120.2° | 120.1° |
| C13 | C14 | N15 | H151 | 164.6° | 172.8° |
| N15 | C14 | C13 | N12 | 40.2° | 53.8° |
| C14 | N15 | C16 | H151 | 121.3° | 124.3° |
| C14 | N15 | C16 | C17 | 48.3° | 62.8° |
| N15 | C14 | C13 | H132 | 81.1° | 173.5° |
| N15 | C14 | C13 | H131 | 161.5° | 65.9° |
| N15 | C14 | H142 | H141 | 120.2° | 120.1° |
| C14 | N15 | C16 | H162 | 72.9° | 177.2° |
| C14 | N15 | C16 | H161 | 169.4° | 57.0° |
| C13 | N12 | C11 | O18 | 0.9° | 6.7° |
| C13 | N12 | C11 | C17 | 180.0° | 179.7° |
| C13 | N12 | C11 | C10 | 179.9° | 173.3° |
| C13 | N12 | C17 | C16 | 39.0° | 51.5° |
| N12 | C13 | H132 | H131 | 115.7° | 120.4° |
| C13 | N12 | C17 | H172 | 81.0° | 68.2° |
| C13 | N12 | C17 | H171 | 159.1° | 171.4° |
| N12 | C13 | C14 | H142 | 79.8° | 66.1° |
| N12 | C13 | C14 | H141 | 160.1° | 173.8° |
| N15 | C16 | C17 | N12 | 42.5° | 53.7° |
| N15 | C16 | C17 | H162 | 121.1° | 120.1° |
| N15 | C16 | C17 | H161 | 121.2° | 119.9° |
| N15 | C16 | C17 | H172 | 77.5° | 66.0° |
| N15 | C16 | C17 | H171 | 162.6° | 173.5° |
| C16 | N15 | C14 | H142 | 76.6° | 57.1° |
| C16 | N15 | C14 | H141 | 163.3° | 177.1° |
| N15 | C16 | H162 | H161 | 116.4° | 120.2° |
| O18 | C11 | N12 | C10 | 179.2° | 180.0° |
| O18 | C11 | N12 | C17 | 179.1° | 173.6° |
| O18 | C11 | C10 | S19 | 80.0° | 153.2° |
| O18 | C11 | C10 | C09 | 100.6° | 26.5° |
| S29 | C28 | N27 | H281 | 180.0° | 180.0° |
| S29 | C28 | N27 | C26 | 0.1° | 0.1° |
| C28 | S29 | C25 | C26 | 0.0° | 0.0° |
| C28 | S29 | C25 | C24 | 180.0° | 179.8° |
| N27 | C28 | S29 | C25 | 0.0° | 0.0° |
| C28 | N27 | C26 | C25 | 0.1° | 0.1° |
| C28 | N27 | C26 | C30 | 180.0° | 180.0° |
| C11 | N12 | C17 | C16 | 140.9° | 128.8° |
| N12 | C11 | C10 | S19 | 100.7° | 26.8° |
| N12 | C11 | C10 | C09 | 78.7° | 153.5° |
| C11 | N12 | C13 | H132 | 100.1° | 9.1° |
| C11 | N12 | C13 | H131 | 17.2° | 111.3° |
| C11 | N12 | C17 | H172 | 99.0° | 111.5° |
| C11 | N12 | C17 | H171 | 20.9° | 8.9° |
| C17 | N12 | C11 | C10 | 0.2° | 6.4° |
| N12 | C17 | C16 | H172 | 120.1° | 119.7° |
| N12 | C17 | C16 | H171 | 120.1° | 119.8° |
| C17 | N12 | C13 | H132 | 79.9° | 171.2° |
| C17 | N12 | C13 | H131 | 162.8° | 68.4° |
| N12 | C17 | H172 | H171 | 119.9° | 120.4° |
| N12 | C17 | C16 | H162 | 78.6° | 173.8° |
| N12 | C17 | C16 | H161 | 163.7° | 66.2° |
| S29 | C25 | C26 | N27 | 0.1° | 0.0° |
| S29 | C25 | C26 | C24 | 180.0° | 179.8° |
| S29 | C25 | C26 | C30 | 180.0° | 180.0° |
| S29 | C25 | C24 | C23 | 179.9° | 180.0° |
| S29 | C25 | C24 | H241 | 0.1° | 0.0° |
| C25 | S29 | C28 | H281 | 180.0° | 180.0° |
| C11 | C10 | S19 | C09 | 179.5° | 179.8° |
| C11 | C10 | S19 | C07 | 179.7° | 179.7° |
| C11 | C10 | C09 | N08 | 179.8° | 179.7° |
| C11 | C10 | C09 | H091 | 0.2° | 0.2° |
| C16 | C17 | H172 | H171 | 119.9° | 120.6° |
| C17 | C16 | H162 | H161 | 116.4° | 120.0° |
| C17 | C16 | N15 | H151 | 169.5° | 172.8° |
| N27 | C26 | C25 | C30 | 179.9° | 179.9° |
| N27 | C26 | C25 | C24 | 180.0° | 179.8° |
| N27 | C26 | C30 | C22 | 180.0° | 179.9° |
| C26 | N27 | C28 | H281 | 179.9° | 180.0° |
| N27 | C26 | C30 | H301 | 0.0° | 0.0° |
| C26 | C25 | C24 | C23 | 0.2° | 0.2° |
| C25 | C26 | C30 | C22 | 0.1° | 0.0° |
| C26 | C25 | C24 | H241 | 179.9° | 179.7° |
| C25 | C26 | C30 | H301 | 179.9° | 180.0° |
| C24 | C25 | C26 | C30 | 0.0° | 0.3° |
| C25 | C24 | C23 | H241 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.3° | 0.0° |
| C25 | C24 | C23 | H231 | 179.6° | 180.0° |
| C26 | C30 | C22 | H301 | 180.0° | 180.0° |
| C26 | C30 | C22 | C23 | 0.3° | 0.3° |
| C26 | C30 | C22 | C21 | 179.9° | 180.0° |
| C24 | C23 | C22 | C30 | 0.4° | 0.3° |
| C24 | C23 | C22 | H231 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 179.8° | 180.0° |
| S19 | C10 | C09 | N08 | 0.3° | 0.0° |
| C10 | S19 | C07 | N08 | 0.1° | 0.0° |
| C10 | S19 | C07 | N06 | 179.7° | 180.0° |
| S19 | C10 | C09 | H091 | 179.7° | 180.0° |
| C09 | C10 | S19 | C07 | 0.2° | 0.0° |
| C10 | C09 | N08 | H091 | 180.0° | 180.0° |
| C10 | C09 | N08 | C07 | 0.2° | 0.0° |
| S19 | C07 | N08 | C09 | 0.1° | 0.0° |
| S19 | C07 | N08 | N06 | 179.7° | 180.0° |
| S19 | C07 | N06 | C05 | 12.7° | 179.9° |
| S19 | C07 | N06 | H061 | 167.3° | 0.0° |
| C30 | C22 | C23 | C21 | 179.8° | 179.8° |
| C30 | C22 | C21 | N20 | 26.4° | 35.5° |
| C30 | C22 | C21 | C02 | 153.1° | 144.7° |
| C30 | C22 | C23 | H231 | 179.6° | 179.8° |
| C23 | C22 | C21 | N20 | 153.4° | 144.7° |
| C23 | C22 | C21 | C02 | 27.1° | 35.0° |
| C22 | C23 | C24 | H241 | 179.7° | 180.0° |
| C23 | C22 | C30 | H301 | 179.7° | 179.8° |
| C09 | N08 | C07 | N06 | 179.8° | 180.0° |
| C22 | C21 | N20 | C02 | 179.5° | 179.7° |
| C22 | C21 | N20 | C05 | 180.0° | 179.7° |
| C22 | C21 | C02 | F01 | 0.2° | 0.0° |
| C22 | C21 | C02 | C03 | 179.9° | 179.9° |
| C21 | C22 | C23 | H231 | 0.2° | 0.0° |
| C21 | C22 | C30 | H301 | 0.1° | 0.0° |
| N08 | C07 | N06 | C05 | 167.6° | 0.0° |
| C07 | N08 | C09 | H091 | 179.8° | 180.0° |
| N08 | C07 | N06 | H061 | 12.3° | 180.0° |
| C07 | N06 | C05 | N20 | 16.7° | 179.7° |
| C07 | N06 | C05 | H061 | 180.0° | 179.9° |
| C07 | N06 | C05 | N04 | 163.7° | 0.1° |
| C21 | N20 | C05 | N06 | 179.8° | 179.8° |
| C21 | N20 | C05 | N04 | 0.3° | 0.6° |
| N20 | C21 | C02 | F01 | 179.7° | 179.8° |
| N20 | C21 | C02 | C03 | 0.4° | 0.3° |
| C05 | N20 | C21 | C02 | 0.5° | 0.6° |
| N20 | C05 | N06 | N04 | 179.5° | 179.6° |
| N20 | C05 | N04 | C03 | 0.1° | 0.4° |
| N20 | C05 | N06 | H061 | 163.2° | 0.4° |
| C21 | C02 | F01 | C03 | 179.9° | 179.9° |
| C21 | C02 | C03 | N04 | 0.2° | 0.1° |
| C21 | C02 | C03 | H031 | 179.8° | 180.0° |
| N06 | C05 | N04 | C03 | 179.6° | 180.0° |
| C05 | N04 | C03 | C02 | 0.0° | 0.1° |
| C05 | N04 | C03 | H031 | 179.9° | 180.0° |
| N04 | C05 | N06 | H061 | 16.3° | 180.0° |
| F01 | C02 | C03 | N04 | 179.9° | 180.0° |
| F01 | C02 | C03 | H031 | 0.1° | 0.1° |
| C02 | C03 | N04 | H031 | 180.0° | 180.0° |
| H132 | C13 | C14 | H142 | 158.9° | 53.6° |
| H132 | C13 | C14 | H141 | 38.8° | 66.5° |
| H131 | C13 | C14 | H142 | 41.6° | 174.1° |
| H131 | C13 | C14 | H141 | 78.5° | 54.1° |
| H172 | C17 | C16 | H162 | 161.3° | 54.1° |
| H172 | C17 | C16 | H161 | 43.6° | 174.1° |
| H171 | C17 | C16 | H162 | 41.5° | 66.4° |
| H171 | C17 | C16 | H161 | 76.2° | 53.6° |
| H241 | C24 | C23 | H231 | 0.3° | 0.1° |
| H142 | C14 | N15 | H151 | 44.7° | 67.3° |
| H141 | C14 | N15 | H151 | 75.4° | 52.8° |
| H162 | C16 | N15 | H151 | 48.4° | 52.9° |
| H161 | C16 | N15 | H151 | 69.3° | 67.3° |






