A1A10
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.38Å | 1.37Å | |
| N03 | C02 | doub | 1.31Å | 1.37Å | Aromatic |
| C04 | N03 | sing | 1.36Å | 1.42Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.43Å | Aromatic |
| N06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| O13 | C12 | doub | 1.21Å | 1.22Å | |
| N14 | C12 | sing | 1.35Å | 1.39Å | |
| C15 | N14 | sing | 1.40Å | 1.41Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.49Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| N23 | C22 | doub | 1.32Å | 1.35Å | Aromatic |
| C24 | N23 | sing | 1.32Å | 1.35Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C26 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | N06 | sing | 1.37Å | 1.42Å | Aromatic |
| C04 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N03 | 126.9° | 125.1° |
| N01 | C02 | N06 | 120.2° | 125.0° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N01 | H012 | 109.4° | 120.0° |
| C02 | N03 | C04 | 104.5° | 109.7° |
| N03 | C02 | N06 | 112.9° | 109.9° |
| N03 | C04 | C05 | 109.4° | 107.1° |
| N03 | C04 | C10 | 131.1° | 133.4° |
| C04 | C05 | N06 | 107.8° | 106.1° |
| C04 | C05 | C07 | 123.8° | 119.9° |
| C05 | C04 | C10 | 119.5° | 119.5° |
| N06 | C05 | C07 | 128.4° | 133.9° |
| C05 | N06 | C02 | 105.4° | 107.2° |
| C05 | N06 | H061 | 127.3° | 126.3° |
| C05 | C07 | C08 | 115.6° | 119.9° |
| C05 | C07 | H071 | 122.2° | 120.1° |
| C07 | C08 | C09 | 121.6° | 120.4° |
| C08 | C07 | H071 | 122.2° | 120.1° |
| C07 | C08 | H081 | 119.2° | 119.8° |
| C08 | C09 | C10 | 123.3° | 120.5° |
| C09 | C08 | H081 | 119.2° | 119.8° |
| C08 | C09 | H091 | 118.3° | 119.7° |
| C09 | C10 | C11 | 120.5° | 120.1° |
| C09 | C10 | C04 | 116.1° | 119.8° |
| C10 | C09 | H091 | 118.3° | 119.8° |
| C10 | C11 | C12 | 112.1° | 109.5° |
| C11 | C10 | C04 | 123.4° | 120.1° |
| C10 | C11 | H111 | 108.8° | 109.5° |
| C10 | C11 | H112 | 108.8° | 109.5° |
| C11 | C12 | O13 | 118.1° | 120.0° |
| C11 | C12 | N14 | 123.3° | 120.0° |
| C12 | C11 | H111 | 108.8° | 109.5° |
| C12 | C11 | H112 | 108.8° | 109.5° |
| O13 | C12 | N14 | 118.6° | 120.0° |
| C12 | N14 | C15 | 124.8° | 120.0° |
| C12 | N14 | H141 | 117.6° | 120.0° |
| N14 | C15 | C16 | 121.9° | 120.1° |
| N14 | C15 | C27 | 122.4° | 120.1° |
| C15 | N14 | H141 | 117.6° | 120.0° |
| C15 | C16 | C17 | 121.9° | 119.9° |
| C16 | C15 | C27 | 115.7° | 119.8° |
| C15 | C16 | H161 | 119.1° | 120.0° |
| C16 | C17 | C18 | 122.4° | 120.1° |
| C17 | C16 | H161 | 119.0° | 120.0° |
| C16 | C17 | H171 | 118.8° | 120.0° |
| C17 | C18 | C19 | 121.7° | 120.0° |
| C17 | C18 | C26 | 116.1° | 120.1° |
| C18 | C17 | H171 | 118.8° | 119.9° |
| C19 | C20 | C21 | 121.5° | 120.8° |
| C20 | C19 | C18 | 116.9° | 109.5° |
| C19 | C20 | C25 | 120.9° | 120.8° |
| C20 | C19 | H191 | 107.6° | 109.5° |
| C20 | C19 | H192 | 107.6° | 109.4° |
| C20 | C21 | C22 | 119.5° | 119.1° |
| C21 | C20 | C25 | 117.6° | 118.4° |
| C20 | C21 | H211 | 120.3° | 120.5° |
| C21 | C22 | N23 | 123.4° | 120.8° |
| C22 | C21 | H211 | 120.2° | 120.4° |
| C21 | C22 | H221 | 118.3° | 119.6° |
| C22 | N23 | C24 | 116.1° | 121.7° |
| N23 | C22 | H221 | 118.3° | 119.6° |
| N23 | C24 | C25 | 124.1° | 120.8° |
| N23 | C24 | H241 | 118.0° | 119.6° |
| C24 | C25 | C20 | 119.3° | 119.1° |
| C25 | C24 | H241 | 118.0° | 119.6° |
| C24 | C25 | H251 | 120.4° | 120.5° |
| C19 | C18 | C26 | 122.2° | 119.9° |
| C18 | C19 | H191 | 107.6° | 109.5° |
| C18 | C19 | H192 | 107.6° | 109.5° |
| C18 | C26 | C27 | 122.2° | 120.0° |
| C18 | C26 | H261 | 118.9° | 120.0° |
| C26 | C27 | C15 | 121.7° | 120.0° |
| C27 | C26 | H261 | 118.9° | 120.0° |
| C26 | C27 | H271 | 119.2° | 120.0° |
| C02 | N06 | H061 | 127.3° | 126.4° |
| C15 | C27 | H271 | 119.1° | 120.0° |
| C20 | C25 | H251 | 120.4° | 120.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H011 | N01 | H012 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N03 | N06 | 179.3° | 179.8° |
| N01 | C02 | N03 | C04 | 179.5° | 180.0° |
| N01 | C02 | N06 | C05 | 179.5° | 180.0° |
| C02 | N01 | H011 | H012 | 120.0° | 180.0° |
| N01 | C02 | N06 | H061 | 0.5° | 0.0° |
| C02 | N03 | C04 | C05 | 0.1° | 0.2° |
| N03 | C02 | N06 | C05 | 0.1° | 0.2° |
| C02 | N03 | C04 | C10 | 179.6° | 180.0° |
| N03 | C02 | N01 | H011 | 0.0° | 179.7° |
| N03 | C02 | N01 | H012 | 120.0° | 0.3° |
| N03 | C02 | N06 | H061 | 179.9° | 179.8° |
| N03 | C04 | C05 | C10 | 179.5° | 179.8° |
| N03 | C04 | C05 | N06 | 0.0° | 0.1° |
| N03 | C04 | C05 | C07 | 180.0° | 180.0° |
| N03 | C04 | C10 | C09 | 179.6° | 179.9° |
| N03 | C04 | C10 | C11 | 1.3° | 0.0° |
| C04 | N03 | C02 | N06 | 0.1° | 0.2° |
| C04 | C05 | N06 | C07 | 180.0° | 179.9° |
| C04 | C05 | C07 | C08 | 0.1° | 0.1° |
| C05 | C04 | C10 | C09 | 1.0° | 0.3° |
| C05 | C04 | C10 | C11 | 179.3° | 179.8° |
| C04 | C05 | N06 | C02 | 0.1° | 0.1° |
| C04 | C05 | C07 | H071 | 179.9° | 180.0° |
| C04 | C05 | N06 | H061 | 179.9° | 179.9° |
| N06 | C05 | C07 | C08 | 179.9° | 180.0° |
| C05 | N06 | C02 | H061 | 180.0° | 179.9° |
| N06 | C05 | C04 | C10 | 179.6° | 179.9° |
| N06 | C05 | C07 | H071 | 0.2° | 0.1° |
| C05 | C07 | C08 | H071 | 180.0° | 180.0° |
| C05 | C07 | C08 | C09 | 0.1° | 0.0° |
| C07 | C05 | N06 | C02 | 179.9° | 179.8° |
| C07 | C05 | C04 | C10 | 0.4° | 0.2° |
| C05 | C07 | C08 | H081 | 179.9° | 179.9° |
| C07 | C05 | N06 | H061 | 0.1° | 0.2° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.5° | 0.1° |
| C07 | C08 | C09 | H091 | 179.5° | 179.9° |
| C08 | C09 | C10 | H091 | 180.0° | 179.8° |
| C08 | C09 | C10 | C11 | 179.4° | 179.8° |
| C08 | C09 | C10 | C04 | 1.1° | 0.3° |
| C09 | C08 | C07 | H071 | 179.9° | 180.0° |
| C09 | C10 | C11 | C04 | 178.2° | 179.9° |
| C09 | C10 | C11 | C12 | 91.7° | 95.1° |
| C10 | C09 | C08 | H081 | 179.5° | 179.8° |
| C09 | C10 | C11 | H111 | 147.8° | 24.9° |
| C09 | C10 | C11 | H112 | 28.6° | 144.9° |
| C10 | C11 | C12 | H111 | 120.4° | 120.0° |
| C10 | C11 | C12 | H112 | 120.4° | 120.0° |
| C10 | C11 | C12 | O13 | 33.1° | 0.0° |
| C10 | C11 | C12 | N14 | 145.8° | 180.0° |
| C11 | C10 | C09 | H091 | 0.6° | 0.0° |
| C10 | C11 | H111 | H112 | 118.8° | 120.0° |
| C11 | C12 | O13 | N14 | 178.9° | 179.9° |
| C11 | C12 | N14 | C15 | 179.2° | 175.4° |
| C12 | C11 | C10 | C04 | 86.5° | 85.0° |
| C12 | C11 | H111 | H112 | 118.7° | 120.0° |
| C11 | C12 | N14 | H141 | 0.7° | 4.6° |
| O13 | C12 | N14 | C15 | 0.4° | 4.6° |
| O13 | C12 | C11 | H111 | 153.5° | 120.0° |
| O13 | C12 | C11 | H112 | 87.3° | 120.0° |
| O13 | C12 | N14 | H141 | 179.6° | 175.4° |
| C12 | N14 | C15 | H141 | 180.0° | 180.0° |
| C12 | N14 | C15 | C16 | 122.4° | 144.7° |
| C12 | N14 | C15 | C27 | 56.8° | 35.0° |
| N14 | C12 | C11 | H111 | 25.4° | 60.0° |
| N14 | C12 | C11 | H112 | 93.8° | 60.0° |
| N14 | C15 | C16 | C27 | 179.3° | 179.7° |
| N14 | C15 | C16 | C17 | 179.7° | 180.0° |
| N14 | C15 | C27 | C26 | 179.8° | 179.7° |
| N14 | C15 | C16 | H161 | 0.3° | 0.0° |
| N14 | C15 | C27 | H271 | 0.2° | 0.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C16 | C15 | C27 | C26 | 0.5° | 0.6° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C16 | C15 | C27 | H271 | 179.5° | 179.7° |
| C16 | C15 | N14 | H141 | 57.6° | 35.3° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 179.9° | 179.9° |
| C16 | C17 | C18 | C26 | 0.1° | 0.1° |
| C17 | C16 | C15 | C27 | 0.4° | 0.3° |
| C17 | C18 | C19 | C20 | 94.4° | 90.0° |
| C17 | C18 | C19 | C26 | 180.0° | 180.0° |
| C17 | C18 | C26 | C27 | 0.1° | 0.3° |
| C18 | C17 | C16 | H161 | 179.9° | 180.0° |
| C17 | C18 | C19 | H191 | 144.5° | 150.0° |
| C17 | C18 | C19 | H192 | 26.7° | 30.0° |
| C17 | C18 | C26 | H261 | 179.9° | 179.9° |
| C19 | C20 | C21 | C25 | 179.5° | 179.7° |
| C19 | C20 | C21 | C22 | 179.8° | 180.0° |
| C19 | C20 | C25 | C24 | 179.5° | 180.0° |
| C20 | C19 | C18 | H191 | 121.1° | 120.0° |
| C20 | C19 | C18 | H192 | 121.1° | 119.9° |
| C20 | C19 | C18 | C26 | 85.6° | 90.0° |
| C20 | C19 | H191 | H192 | 116.6° | 120.0° |
| C19 | C20 | C21 | H211 | 0.2° | 0.0° |
| C19 | C20 | C25 | H251 | 0.5° | 0.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | N23 | 0.2° | 0.0° |
| C21 | C20 | C25 | C24 | 0.0° | 0.3° |
| C21 | C20 | C19 | C18 | 34.8° | 89.7° |
| C21 | C20 | C19 | H191 | 155.8° | 150.3° |
| C21 | C20 | C19 | H192 | 86.3° | 30.3° |
| C20 | C21 | C22 | H221 | 179.8° | 180.0° |
| C21 | C20 | C25 | H251 | 180.0° | 179.7° |
| C21 | C22 | N23 | H221 | 180.0° | 180.0° |
| C21 | C22 | N23 | C24 | 0.3° | 0.2° |
| C22 | C21 | C20 | C25 | 0.3° | 0.3° |
| C22 | N23 | C24 | C25 | 0.6° | 0.2° |
| N23 | C22 | C21 | H211 | 179.8° | 180.0° |
| C22 | N23 | C24 | H241 | 179.4° | 180.0° |
| N23 | C24 | C25 | H241 | 180.0° | 179.8° |
| N23 | C24 | C25 | C20 | 0.5° | 0.0° |
| C24 | N23 | C22 | H221 | 179.7° | 179.7° |
| N23 | C24 | C25 | H251 | 179.6° | 180.0° |
| C24 | C25 | C20 | H251 | 180.0° | 180.0° |
| C19 | C18 | C26 | C27 | 180.0° | 179.7° |
| C18 | C19 | C20 | C25 | 145.7° | 90.0° |
| C19 | C18 | C17 | H171 | 0.1° | 0.0° |
| C18 | C19 | H191 | H192 | 116.6° | 120.0° |
| C19 | C18 | C26 | H261 | 0.0° | 0.0° |
| C18 | C26 | C27 | H261 | 180.0° | 179.7° |
| C18 | C26 | C27 | C15 | 0.3° | 0.6° |
| C26 | C18 | C17 | H171 | 179.9° | 180.0° |
| C26 | C18 | C19 | H191 | 35.5° | 30.0° |
| C26 | C18 | C19 | H192 | 153.3° | 150.0° |
| C18 | C26 | C27 | H271 | 179.7° | 179.7° |
| C26 | C27 | C15 | H271 | 180.0° | 179.7° |
| N06 | C02 | N01 | H011 | 179.3° | 0.0° |
| N06 | C02 | N01 | H012 | 60.7° | 180.0° |
| C04 | C10 | C09 | H091 | 178.9° | 179.9° |
| C04 | C10 | C11 | H111 | 33.9° | 155.0° |
| C04 | C10 | C11 | H112 | 153.1° | 35.0° |
| C27 | C15 | C16 | H161 | 179.6° | 179.7° |
| C15 | C27 | C26 | H261 | 179.7° | 179.7° |
| C27 | C15 | N14 | H141 | 123.2° | 144.9° |
| C25 | C20 | C19 | H191 | 24.7° | 30.0° |
| C25 | C20 | C19 | H192 | 93.2° | 150.0° |
| C25 | C20 | C21 | H211 | 179.7° | 179.7° |
| C20 | C25 | C24 | H241 | 179.5° | 179.8° |
| H071 | C07 | C08 | H081 | 0.1° | 0.0° |
| H081 | C08 | C09 | H091 | 0.5° | 0.0° |
| H161 | C16 | C17 | H171 | 0.1° | 0.0° |
| H211 | C21 | C22 | H221 | 0.2° | 0.0° |
| H241 | C24 | C25 | H251 | 0.5° | 0.2° |
| H261 | C26 | C27 | H271 | 0.3° | 0.0° |
