A1L93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 0.00Å | |
| C02 | N03 | sing | 1.33Å | 0.00Å | |
| C02 | N15 | sing | 1.34Å | 0.00Å | |
| N03 | C04 | doub | 1.33Å | 0.00Å | |
| C04 | O05 | sing | 1.35Å | 0.00Å | |
| C04 | C13 | sing | 1.40Å | 0.00Å | |
| O05 | C06 | sing | 1.43Å | 0.00Å | |
| C06 | C07 | sing | 1.53Å | 0.00Å | |
| C07 | O08 | sing | 1.43Å | 0.00Å | |
| C07 | C12 | sing | 1.53Å | 0.00Å | |
| O08 | C09 | sing | 1.43Å | 0.00Å | |
| C09 | C10 | sing | 1.53Å | 0.00Å | |
| C10 | O11 | sing | 1.43Å | 0.00Å | |
| O11 | C12 | sing | 1.43Å | 0.00Å | |
| C13 | C14 | doub | 1.38Å | 0.00Å | |
| C14 | C19 | sing | 1.47Å | 0.00Å | |
| C16 | C17 | sing | 1.54Å | 0.00Å | |
| C17 | C18 | sing | 1.51Å | 0.00Å | |
| C18 | C19 | doub | 1.40Å | 0.00Å | Aromatic |
| C18 | C28 | sing | 1.37Å | 0.00Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 0.00Å | Aromatic |
| C20 | C21 | doub | 1.37Å | 0.00Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 0.00Å | Aromatic |
| C22 | C23 | sing | 1.43Å | 0.00Å | |
| C22 | C28 | doub | 1.39Å | 0.00Å | Aromatic |
| C23 | C24 | trip | 1.17Å | 0.00Å | |
| C24 | C25 | sing | 1.47Å | 0.00Å | |
| C25 | C26 | sing | 1.53Å | 0.00Å | |
| C25 | C27 | sing | 1.53Å | 0.00Å | |
| C26 | C27 | sing | 1.53Å | 0.00Å | |
| C06 | H061 | sing | 1.09Å | 0.00Å | |
| C06 | H062 | sing | 1.09Å | 0.00Å | |
| C07 | H071 | sing | 1.09Å | 0.00Å | |
| C09 | H091 | sing | 1.09Å | 0.00Å | |
| C09 | H092 | sing | 1.09Å | 0.00Å | |
| C10 | H102 | sing | 1.09Å | 0.00Å | |
| C10 | H101 | sing | 1.09Å | 0.00Å | |
| C12 | H122 | sing | 1.09Å | 0.00Å | |
| C12 | H121 | sing | 1.09Å | 0.00Å | |
| C13 | H131 | sing | 1.08Å | 0.00Å | |
| C16 | H162 | sing | 1.09Å | 0.00Å | |
| C16 | H4 | sing | 1.09Å | 0.00Å | |
| C17 | H171 | sing | 1.09Å | 0.00Å | |
| C17 | H172 | sing | 1.09Å | 0.00Å | |
| C20 | H201 | sing | 1.08Å | 0.00Å | |
| C21 | H211 | sing | 1.08Å | 0.00Å | |
| C25 | H251 | sing | 1.09Å | 0.00Å | |
| C26 | H262 | sing | 1.09Å | 0.00Å | |
| C26 | H261 | sing | 1.09Å | 0.00Å | |
| C27 | H272 | sing | 1.09Å | 0.00Å | |
| C27 | H271 | sing | 1.09Å | 0.00Å | |
| C28 | H281 | sing | 1.08Å | 0.00Å | |
| C16 | N15 | sing | 1.47Å | 0.00Å | |
| C14 | N15 | sing | 1.38Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 90.0° | 119.5° |
| O01 | C02 | N15 | 90.0° | 119.4° |
| N03 | C02 | N15 | 90.0° | 121.1° |
| C02 | N03 | C04 | 90.0° | 121.5° |
| C02 | N15 | C16 | 90.0° | 120.8° |
| C02 | N15 | C14 | 90.0° | 119.9° |
| N03 | C04 | O05 | 90.0° | 120.1° |
| N03 | C04 | C13 | 90.0° | 119.8° |
| O05 | C04 | C13 | 90.0° | 120.1° |
| C04 | O05 | C06 | 90.0° | 117.0° |
| C04 | C13 | C14 | 90.0° | 118.5° |
| C04 | C13 | H131 | 90.0° | 120.8° |
| O05 | C06 | C07 | 90.0° | 109.5° |
| O05 | C06 | H061 | 90.0° | 109.5° |
| O05 | C06 | H062 | 90.0° | 109.4° |
| C06 | C07 | O08 | 90.0° | 109.5° |
| C06 | C07 | C12 | 90.0° | 109.5° |
| C07 | C06 | H061 | 90.0° | 109.5° |
| C07 | C06 | H062 | 90.0° | 109.5° |
| C06 | C07 | H071 | 90.0° | 109.5° |
| O08 | C07 | C12 | 90.0° | 109.2° |
| C07 | O08 | C09 | 90.0° | 113.6° |
| O08 | C07 | H071 | 90.0° | 109.5° |
| C07 | C12 | O11 | 90.0° | 109.1° |
| C12 | C07 | H071 | 90.0° | 109.6° |
| C07 | C12 | H122 | 90.0° | 109.5° |
| C07 | C12 | H121 | 90.0° | 109.5° |
| O08 | C09 | C10 | 90.0° | 109.2° |
| O08 | C09 | H091 | 90.0° | 109.6° |
| O08 | C09 | H092 | 90.0° | 109.5° |
| C09 | C10 | O11 | 90.0° | 109.1° |
| C10 | C09 | H091 | 90.0° | 109.5° |
| C10 | C09 | H092 | 90.0° | 109.5° |
| C09 | C10 | H102 | 90.0° | 109.5° |
| C09 | C10 | H101 | 90.0° | 109.5° |
| C10 | O11 | C12 | 90.0° | 113.6° |
| O11 | C10 | H102 | 90.0° | 109.5° |
| O11 | C10 | H101 | 90.0° | 109.6° |
| O11 | C12 | H122 | 90.0° | 109.5° |
| O11 | C12 | H121 | 90.0° | 109.5° |
| C13 | C14 | C19 | 90.0° | 121.5° |
| C14 | C13 | H131 | 90.0° | 120.8° |
| C13 | C14 | N15 | 90.0° | 119.3° |
| C14 | C19 | C18 | 90.0° | 118.4° |
| C14 | C19 | C20 | 90.0° | 121.8° |
| C19 | C14 | N15 | 90.0° | 119.2° |
| C16 | C17 | C18 | 90.0° | 108.2° |
| C17 | C16 | H162 | 90.0° | 109.6° |
| C17 | C16 | H4 | 90.0° | 109.6° |
| C16 | C17 | H171 | 90.0° | 109.7° |
| C16 | C17 | H172 | 90.0° | 109.7° |
| C17 | C16 | N15 | 90.0° | 108.8° |
| C17 | C18 | C19 | 90.0° | 118.2° |
| C17 | C18 | C28 | 90.0° | 121.6° |
| C18 | C17 | H171 | 90.0° | 109.7° |
| C18 | C17 | H172 | 90.0° | 109.8° |
| C19 | C18 | C28 | 90.0° | 120.3° |
| C18 | C19 | C20 | 90.0° | 119.9° |
| C18 | C28 | C22 | 90.0° | 119.7° |
| C18 | C28 | H281 | 90.0° | 120.2° |
| C19 | C20 | C21 | 90.0° | 119.9° |
| C19 | C20 | H201 | 90.0° | 120.1° |
| C20 | C21 | C22 | 90.0° | 120.3° |
| C21 | C20 | H201 | 90.0° | 120.1° |
| C20 | C21 | H211 | 90.0° | 119.9° |
| C21 | C22 | C23 | 90.0° | 120.0° |
| C21 | C22 | C28 | 90.0° | 120.0° |
| C22 | C21 | H211 | 90.0° | 119.8° |
| C23 | C22 | C28 | 90.0° | 120.0° |
| C22 | C23 | C24 | 90.0° | 180.0° |
| C22 | C28 | H281 | 90.0° | 120.1° |
| C23 | C24 | C25 | 90.0° | 180.0° |
| C24 | C25 | C26 | 90.0° | 117.5° |
| C24 | C25 | C27 | 90.0° | 117.5° |
| C24 | C25 | H251 | 90.0° | 115.6° |
| C26 | C25 | C27 | 90.0° | 60.0° |
| C25 | C26 | C27 | 90.0° | 60.0° |
| C26 | C25 | H251 | 90.0° | 117.5° |
| C25 | C26 | H262 | 90.0° | 117.5° |
| C25 | C26 | H261 | 90.0° | 117.5° |
| C25 | C27 | C26 | 90.0° | 60.0° |
| C27 | C25 | H251 | 90.0° | 117.6° |
| C25 | C27 | H272 | 90.0° | 117.5° |
| C25 | C27 | H271 | 90.0° | 117.5° |
| C27 | C26 | H262 | 90.0° | 117.4° |
| C27 | C26 | H261 | 90.0° | 117.5° |
| C26 | C27 | H272 | 90.0° | 117.4° |
| C26 | C27 | H271 | 90.0° | 117.5° |
| H061 | C06 | H062 | 90.0° | 109.5° |
| H091 | C09 | H092 | 90.0° | 109.6° |
| H102 | C10 | H101 | 90.0° | 109.6° |
| H122 | C12 | H121 | 90.0° | 109.7° |
| H162 | C16 | H4 | 90.0° | 109.7° |
| H162 | C16 | N15 | 90.0° | 109.6° |
| H4 | C16 | N15 | 90.0° | 109.6° |
| H171 | C17 | H172 | 90.0° | 109.8° |
| H262 | C26 | H261 | 90.0° | 115.6° |
| H272 | C27 | H271 | 90.0° | 115.6° |
| C16 | N15 | C14 | 90.0° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | N15 | 90.0° | 179.7° |
| O01 | C02 | N03 | C04 | 90.0° | 179.4° |
| O01 | C02 | N15 | C16 | 90.0° | 1.7° |
| O01 | C02 | N15 | C14 | 90.0° | 178.6° |
| C02 | N03 | C04 | O05 | 90.0° | 179.8° |
| C02 | N03 | C04 | C13 | 90.0° | 0.1° |
| N03 | C02 | N15 | C16 | 90.0° | 178.0° |
| N03 | C02 | N15 | C14 | 90.0° | 1.7° |
| N15 | C02 | N03 | C04 | 90.0° | 0.8° |
| C02 | N15 | C14 | C13 | 90.0° | 1.6° |
| C02 | N15 | C14 | C19 | 90.0° | 178.5° |
| C02 | N15 | C16 | C17 | 90.0° | 138.6° |
| C02 | N15 | C16 | H162 | 90.0° | 101.6° |
| C02 | N15 | C16 | H4 | 90.0° | 18.8° |
| C02 | N15 | C16 | C14 | 90.0° | 179.7° |
| N03 | C04 | O05 | C13 | 90.0° | 179.9° |
| N03 | C04 | O05 | C06 | 90.0° | 0.1° |
| N03 | C04 | C13 | C14 | 90.0° | 0.2° |
| N03 | C04 | C13 | H131 | 90.0° | 179.8° |
| C04 | O05 | C06 | C07 | 90.0° | 180.0° |
| O05 | C04 | C13 | C14 | 90.0° | 179.7° |
| C04 | O05 | C06 | H061 | 90.0° | 60.0° |
| C04 | O05 | C06 | H062 | 90.0° | 60.0° |
| O05 | C04 | C13 | H131 | 90.0° | 0.3° |
| C13 | C04 | O05 | C06 | 90.0° | 180.0° |
| C04 | C13 | C14 | H131 | 90.0° | 180.0° |
| C04 | C13 | C14 | C19 | 90.0° | 179.4° |
| C04 | C13 | C14 | N15 | 90.0° | 0.6° |
| O05 | C06 | C07 | H061 | 90.0° | 120.0° |
| O05 | C06 | C07 | H062 | 90.0° | 120.0° |
| O05 | C06 | C07 | O08 | 90.0° | 65.0° |
| O05 | C06 | C07 | C12 | 90.0° | 175.3° |
| O05 | C06 | H061 | H062 | 90.0° | 120.0° |
| O05 | C06 | C07 | H071 | 90.0° | 55.1° |
| C06 | C07 | O08 | C12 | 90.0° | 119.9° |
| C06 | C07 | O08 | H071 | 90.0° | 120.1° |
| C06 | C07 | C12 | H071 | 90.0° | 120.1° |
| C06 | C07 | O08 | C09 | 90.0° | 177.9° |
| C06 | C07 | C12 | O11 | 90.0° | 175.2° |
| C07 | C06 | H061 | H062 | 90.0° | 120.0° |
| C06 | C07 | C12 | H122 | 90.0° | 55.4° |
| C06 | C07 | C12 | H121 | 90.0° | 64.9° |
| O08 | C07 | C12 | H071 | 90.0° | 119.9° |
| C07 | O08 | C09 | C10 | 90.0° | 57.9° |
| O08 | C07 | C12 | O11 | 90.0° | 55.3° |
| O08 | C07 | C06 | H061 | 90.0° | 55.0° |
| O08 | C07 | C06 | H062 | 90.0° | 175.0° |
| C07 | O08 | C09 | H091 | 90.0° | 62.0° |
| C07 | O08 | C09 | H092 | 90.0° | 177.8° |
| O08 | C07 | C12 | H122 | 90.0° | 64.6° |
| O08 | C07 | C12 | H121 | 90.0° | 175.2° |
| C12 | C07 | O08 | C09 | 90.0° | 57.9° |
| C07 | C12 | O11 | C10 | 90.0° | 58.0° |
| C07 | C12 | O11 | H122 | 90.0° | 119.8° |
| C07 | C12 | O11 | H121 | 90.0° | 119.9° |
| C12 | C07 | C06 | H061 | 90.0° | 64.7° |
| C12 | C07 | C06 | H062 | 90.0° | 55.3° |
| C07 | C12 | H122 | H121 | 90.0° | 120.2° |
| O08 | C09 | C10 | H091 | 90.0° | 120.0° |
| O08 | C09 | C10 | H092 | 90.0° | 119.9° |
| O08 | C09 | C10 | O11 | 90.0° | 55.4° |
| C09 | O08 | C07 | H071 | 90.0° | 62.0° |
| O08 | C09 | H091 | H092 | 90.0° | 120.2° |
| O08 | C09 | C10 | H102 | 90.0° | 175.2° |
| O08 | C09 | C10 | H101 | 90.0° | 64.6° |
| C09 | C10 | O11 | H102 | 90.0° | 119.8° |
| C09 | C10 | O11 | H101 | 90.0° | 119.9° |
| C09 | C10 | O11 | C12 | 90.0° | 58.0° |
| C10 | C09 | H091 | H092 | 90.0° | 120.1° |
| C09 | C10 | H102 | H101 | 90.0° | 120.1° |
| O11 | C10 | C09 | H091 | 90.0° | 64.6° |
| O11 | C10 | C09 | H092 | 90.0° | 175.2° |
| O11 | C10 | H102 | H101 | 90.0° | 120.2° |
| C10 | O11 | C12 | H122 | 90.0° | 61.9° |
| C10 | O11 | C12 | H121 | 90.0° | 177.8° |
| O11 | C12 | C07 | H071 | 90.0° | 64.6° |
| C12 | O11 | C10 | H102 | 90.0° | 177.8° |
| C12 | O11 | C10 | H101 | 90.0° | 61.9° |
| O11 | C12 | H122 | H121 | 90.0° | 120.2° |
| C13 | C14 | C19 | N15 | 90.0° | 179.9° |
| C13 | C14 | C19 | C18 | 90.0° | 159.4° |
| C13 | C14 | C19 | C20 | 90.0° | 21.3° |
| C13 | C14 | N15 | C16 | 90.0° | 178.1° |
| C14 | C19 | C18 | C17 | 90.0° | 0.9° |
| C14 | C19 | C18 | C20 | 90.0° | 179.3° |
| C14 | C19 | C18 | C28 | 90.0° | 179.6° |
| C14 | C19 | C20 | C21 | 90.0° | 179.9° |
| C19 | C14 | C13 | H131 | 90.0° | 0.5° |
| C14 | C19 | C20 | H201 | 90.0° | 0.1° |
| C19 | C14 | N15 | C16 | 90.0° | 1.8° |
| C16 | C17 | C18 | H171 | 90.0° | 119.6° |
| C16 | C17 | C18 | H172 | 90.0° | 119.7° |
| C16 | C17 | C18 | C19 | 90.0° | 40.0° |
| C16 | C17 | C18 | C28 | 90.0° | 140.6° |
| C17 | C16 | H162 | H4 | 90.0° | 120.3° |
| C17 | C16 | H162 | N15 | 90.0° | 119.4° |
| C17 | C16 | H4 | N15 | 90.0° | 119.4° |
| C16 | C17 | H171 | H172 | 90.0° | 120.6° |
| C17 | C16 | N15 | C14 | 90.0° | 41.7° |
| C17 | C18 | C19 | C28 | 90.0° | 179.5° |
| C17 | C18 | C19 | C20 | 90.0° | 179.8° |
| C17 | C18 | C28 | C22 | 90.0° | 178.9° |
| C18 | C17 | C16 | H162 | 90.0° | 61.1° |
| C18 | C17 | C16 | H4 | 90.0° | 178.6° |
| C18 | C17 | H171 | H172 | 90.0° | 120.7° |
| C17 | C18 | C28 | H281 | 90.0° | 0.2° |
| C18 | C17 | C16 | N15 | 90.0° | 58.8° |
| C18 | C19 | C20 | C21 | 90.0° | 0.6° |
| C19 | C18 | C28 | C22 | 90.0° | 0.6° |
| C19 | C18 | C17 | H171 | 90.0° | 159.6° |
| C19 | C18 | C17 | H172 | 90.0° | 79.7° |
| C18 | C19 | C20 | H201 | 90.0° | 179.4° |
| C19 | C18 | C28 | H281 | 90.0° | 179.6° |
| C18 | C19 | C14 | N15 | 90.0° | 20.6° |
| C28 | C18 | C19 | C20 | 90.0° | 0.3° |
| C18 | C28 | C22 | C21 | 90.0° | 1.1° |
| C18 | C28 | C22 | C23 | 90.0° | 179.8° |
| C18 | C28 | C22 | H281 | 90.0° | 179.0° |
| C28 | C18 | C17 | H171 | 90.0° | 20.9° |
| C28 | C18 | C17 | H172 | 90.0° | 99.8° |
| C19 | C20 | C21 | H201 | 90.0° | 180.0° |
| C19 | C20 | C21 | C22 | 90.0° | 0.1° |
| C19 | C20 | C21 | H211 | 90.0° | 180.0° |
| C20 | C19 | C14 | N15 | 90.0° | 158.6° |
| C20 | C21 | C22 | H211 | 90.0° | 179.9° |
| C20 | C21 | C22 | C23 | 90.0° | 179.9° |
| C20 | C21 | C22 | C28 | 90.0° | 0.8° |
| C21 | C22 | C23 | C28 | 90.0° | 179.1° |
| C21 | C22 | C23 | C24 | 90.0° | 76.7° |
| C22 | C21 | C20 | H201 | 90.0° | 180.0° |
| C21 | C22 | C28 | H281 | 90.0° | 179.8° |
| C22 | C23 | C24 | C25 | 90.0° | 91.3° |
| C23 | C22 | C21 | H211 | 90.0° | 0.0° |
| C23 | C22 | C28 | H281 | 90.0° | 0.7° |
| C28 | C22 | C23 | C24 | 90.0° | 102.4° |
| C28 | C22 | C21 | H211 | 90.0° | 179.1° |
| C23 | C24 | C25 | C26 | 90.0° | 165.3° |
| C23 | C24 | C25 | C27 | 90.0° | 126.0° |
| C23 | C24 | C25 | H251 | 90.0° | 19.7° |
| C24 | C25 | C26 | C27 | 90.0° | 107.5° |
| C24 | C25 | C26 | H251 | 90.0° | 144.9° |
| C24 | C25 | C27 | H251 | 90.0° | 145.1° |
| C24 | C25 | C26 | H262 | 90.0° | 0.1° |
| C24 | C25 | C26 | H261 | 90.0° | 145.0° |
| C24 | C25 | C27 | H272 | 90.0° | 145.1° |
| C24 | C25 | C27 | H271 | 90.0° | 0.0° |
| C26 | C25 | C27 | H251 | 90.0° | 107.4° |
| C25 | C26 | C27 | H262 | 90.0° | 107.5° |
| C25 | C26 | C27 | H261 | 90.0° | 107.5° |
| C25 | C26 | H262 | H261 | 90.0° | 145.8° |
| C26 | C25 | C27 | H272 | 90.0° | 107.4° |
| C26 | C25 | C27 | H271 | 90.0° | 107.5° |
| C25 | C27 | H272 | H271 | 90.0° | 145.7° |
| C27 | C26 | H262 | H261 | 90.0° | 145.6° |
| C26 | C27 | H272 | H271 | 90.0° | 145.7° |
| H061 | C06 | C07 | H071 | 90.0° | 175.1° |
| H062 | C06 | C07 | H071 | 90.0° | 64.9° |
| H071 | C07 | C12 | H122 | 90.0° | 175.5° |
| H071 | C07 | C12 | H121 | 90.0° | 55.2° |
| H091 | C09 | C10 | H102 | 90.0° | 55.3° |
| H091 | C09 | C10 | H101 | 90.0° | 175.4° |
| H092 | C09 | C10 | H102 | 90.0° | 64.9° |
| H092 | C09 | C10 | H101 | 90.0° | 55.3° |
| H131 | C13 | C14 | N15 | 90.0° | 179.4° |
| H162 | C16 | H4 | N15 | 90.0° | 120.4° |
| H162 | C16 | C17 | H171 | 90.0° | 58.6° |
| H162 | C16 | C17 | H172 | 90.0° | 179.2° |
| H162 | C16 | N15 | C14 | 90.0° | 78.1° |
| H4 | C16 | C17 | H171 | 90.0° | 61.8° |
| H4 | C16 | C17 | H172 | 90.0° | 58.9° |
| H4 | C16 | N15 | C14 | 90.0° | 161.5° |
| H171 | C17 | C16 | N15 | 90.0° | 178.4° |
| H172 | C17 | C16 | N15 | 90.0° | 60.9° |
| H201 | C20 | C21 | H211 | 90.0° | 0.0° |
| H251 | C25 | C26 | H262 | 90.0° | 145.0° |
| H251 | C25 | C26 | H261 | 90.0° | 0.1° |
| H251 | C25 | C27 | H272 | 90.0° | 0.0° |
| H251 | C25 | C27 | H271 | 90.0° | 145.0° |
| H262 | C26 | C27 | H272 | 90.0° | 145.0° |
| H262 | C26 | C27 | H271 | 90.0° | 0.0° |
| H261 | C26 | C27 | H272 | 90.0° | 0.0° |
| H261 | C26 | C27 | H271 | 90.0° | 145.0° |






