A1C15
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N06 | C01 | sing | 1.37Å | 1.48Å | Aromatic |
| C01 | N07 | sing | 1.33Å | 1.40Å | Aromatic |
| C01 | C10 | doub | 1.41Å | 1.46Å | Aromatic |
| C10 | C02 | sing | 1.47Å | 1.53Å | |
| C02 | S11 | sing | 1.76Å | 1.82Å | Aromatic |
| C02 | N12 | doub | 1.30Å | 1.34Å | Aromatic |
| N06 | N03 | sing | 1.40Å | 1.35Å | Aromatic |
| N03 | C09 | doub | 1.31Å | 1.36Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | C08 | sing | 1.40Å | 1.44Å | Aromatic |
| C05 | N06 | sing | 1.36Å | 1.41Å | Aromatic |
| C08 | N07 | doub | 1.31Å | 1.32Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| S11 | C13 | sing | 1.76Å | 1.77Å | Aromatic |
| C15 | N12 | sing | 1.34Å | 1.54Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C14 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
| C19 | C15 | doub | 1.42Å | 1.46Å | Aromatic |
| C17 | C16 | sing | 1.47Å | 1.61Å | |
| C16 | O20 | doub | 1.21Å | 1.20Å | |
| C16 | O21 | sing | 1.35Å | 1.44Å | |
| C17 | C18 | doub | 1.40Å | 1.45Å | Aromatic |
| C18 | C19 | sing | 1.36Å | 1.44Å | Aromatic |
| O21 | C22 | sing | 1.45Å | 1.39Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C01 | N07 | 117.2° | 120.7° |
| N06 | C01 | C10 | 107.7° | 106.8° |
| C01 | N06 | N03 | 106.4° | 108.0° |
| C01 | N06 | C05 | 117.1° | 119.8° |
| N07 | C01 | C10 | 135.1° | 132.5° |
| C01 | N07 | C08 | 123.0° | 120.9° |
| C01 | C10 | C02 | 130.9° | 126.5° |
| C01 | C10 | C09 | 103.0° | 107.0° |
| C10 | C02 | S11 | 111.9° | 124.9° |
| C10 | C02 | N12 | 140.3° | 124.8° |
| C02 | C10 | C09 | 126.1° | 126.5° |
| S11 | C02 | N12 | 107.8° | 110.3° |
| C02 | S11 | C13 | 94.8° | 90.3° |
| C02 | N12 | C15 | 117.7° | 118.0° |
| N06 | N03 | C09 | 110.3° | 109.4° |
| N03 | N06 | C05 | 136.5° | 132.2° |
| N03 | C09 | C10 | 112.5° | 108.8° |
| N03 | C09 | H091 | 123.7° | 125.7° |
| C05 | C04 | C08 | 115.5° | 119.4° |
| C04 | C05 | N06 | 124.1° | 119.1° |
| C05 | C04 | H041 | 122.2° | 120.3° |
| C04 | C05 | H051 | 117.9° | 120.5° |
| C04 | C08 | N07 | 123.1° | 120.1° |
| C08 | C04 | H041 | 122.2° | 120.3° |
| C04 | C08 | H081 | 118.4° | 119.9° |
| N06 | C05 | H051 | 118.0° | 120.5° |
| N07 | C08 | H081 | 118.5° | 120.0° |
| C10 | C09 | H091 | 123.8° | 125.6° |
| S11 | C13 | C14 | 123.2° | 131.1° |
| S11 | C13 | C15 | 110.3° | 108.4° |
| N12 | C15 | C13 | 109.4° | 113.0° |
| N12 | C15 | C19 | 139.2° | 128.5° |
| C14 | C13 | C15 | 126.5° | 120.5° |
| C13 | C14 | C17 | 122.1° | 120.0° |
| C13 | C14 | H141 | 119.0° | 120.0° |
| C13 | C15 | C19 | 111.4° | 118.5° |
| C14 | C17 | C16 | 118.6° | 120.2° |
| C14 | C17 | C18 | 113.5° | 119.6° |
| C17 | C14 | H141 | 119.0° | 120.0° |
| C15 | C19 | C18 | 122.8° | 120.8° |
| C15 | C19 | H191 | 118.6° | 119.6° |
| C17 | C16 | O20 | 125.4° | 120.0° |
| C17 | C16 | O21 | 119.8° | 119.9° |
| C16 | C17 | C18 | 127.9° | 120.2° |
| O20 | C16 | O21 | 114.9° | 120.1° |
| C16 | O21 | C22 | 115.2° | 116.9° |
| C17 | C18 | C19 | 123.7° | 120.6° |
| C17 | C18 | H181 | 118.1° | 119.7° |
| C19 | C18 | H181 | 118.2° | 119.7° |
| C18 | C19 | H191 | 118.6° | 119.6° |
| O21 | C22 | H221 | 109.5° | 109.5° |
| O21 | C22 | H223 | 109.5° | 109.4° |
| O21 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H223 | C22 | H222 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C01 | N07 | C10 | 178.5° | 180.0° |
| N06 | C01 | C10 | C02 | 178.8° | 180.0° |
| C01 | N06 | N03 | C05 | 179.6° | 179.7° |
| C01 | N06 | N03 | C09 | 0.1° | 0.1° |
| C01 | N06 | C05 | C04 | 0.3° | 0.0° |
| N06 | C01 | N07 | C08 | 0.1° | 0.1° |
| N06 | C01 | C10 | C09 | 1.1° | 0.2° |
| C01 | N06 | C05 | H051 | 179.7° | 179.9° |
| N07 | C01 | C10 | C02 | 2.6° | 0.0° |
| N07 | C01 | N06 | N03 | 179.6° | 179.8° |
| C01 | N07 | C08 | C04 | 0.2° | 0.1° |
| N07 | C01 | N06 | C05 | 0.0° | 0.0° |
| N07 | C01 | C10 | C09 | 179.6° | 179.8° |
| C01 | N07 | C08 | H081 | 179.7° | 180.0° |
| C01 | C10 | C02 | C09 | 177.3° | 179.7° |
| C01 | C10 | C02 | S11 | 5.0° | 180.0° |
| C01 | C10 | C02 | N12 | 176.6° | 0.1° |
| C10 | C01 | N06 | N03 | 0.7° | 0.2° |
| C01 | C10 | C09 | N03 | 1.1° | 0.2° |
| C10 | C01 | N06 | C05 | 178.9° | 180.0° |
| C10 | C01 | N07 | C08 | 178.5° | 179.9° |
| C01 | C10 | C09 | H091 | 178.9° | 179.8° |
| C10 | C02 | S11 | N12 | 178.9° | 180.0° |
| C02 | C10 | C09 | N03 | 178.9° | 180.0° |
| C10 | C02 | S11 | C13 | 178.8° | 180.0° |
| C10 | C02 | N12 | C15 | 178.7° | 180.0° |
| C02 | C10 | C09 | H091 | 1.1° | 0.0° |
| S11 | C02 | C10 | C09 | 172.2° | 0.3° |
| S11 | C02 | N12 | C15 | 0.3° | 0.0° |
| C02 | S11 | C13 | C14 | 179.7° | 180.0° |
| C02 | S11 | C13 | C15 | 0.4° | 0.0° |
| N12 | C02 | C10 | C09 | 6.1° | 179.7° |
| N12 | C02 | S11 | C13 | 0.1° | 0.0° |
| C02 | N12 | C15 | C13 | 0.6° | 0.0° |
| C02 | N12 | C15 | C19 | 179.8° | 180.0° |
| N03 | N06 | C05 | C04 | 179.8° | 179.8° |
| N06 | N03 | C09 | C10 | 0.6° | 0.1° |
| N03 | N06 | C05 | H051 | 0.2° | 0.2° |
| N06 | N03 | C09 | H091 | 179.4° | 179.9° |
| C09 | N03 | N06 | C05 | 179.5° | 179.8° |
| N03 | C09 | C10 | H091 | 180.0° | 179.9° |
| C05 | C04 | C08 | H041 | 180.0° | 180.0° |
| C04 | C05 | N06 | H051 | 180.0° | 180.0° |
| C05 | C04 | C08 | N07 | 0.5° | 0.1° |
| C05 | C04 | C08 | H081 | 179.4° | 180.0° |
| C08 | C04 | C05 | N06 | 0.6° | 0.0° |
| C04 | C08 | N07 | H081 | 180.0° | 179.9° |
| C08 | C04 | C05 | H051 | 179.5° | 179.9° |
| N06 | C05 | C04 | H041 | 179.4° | 180.0° |
| N07 | C08 | C04 | H041 | 179.5° | 179.9° |
| S11 | C13 | C15 | N12 | 0.6° | 0.0° |
| S11 | C13 | C14 | C15 | 179.8° | 180.0° |
| S11 | C13 | C14 | C17 | 179.4° | 180.0° |
| S11 | C13 | C15 | C19 | 179.7° | 180.0° |
| S11 | C13 | C14 | H141 | 0.6° | 0.0° |
| N12 | C15 | C13 | C14 | 179.5° | 180.0° |
| N12 | C15 | C13 | C19 | 179.7° | 180.0° |
| N12 | C15 | C19 | C18 | 179.7° | 180.0° |
| N12 | C15 | C19 | H191 | 0.3° | 0.0° |
| C13 | C14 | C17 | H141 | 180.0° | 180.0° |
| C14 | C13 | C15 | C19 | 0.2° | 0.0° |
| C13 | C14 | C17 | C16 | 179.6° | 180.0° |
| C13 | C14 | C17 | C18 | 0.4° | 0.0° |
| C15 | C13 | C14 | C17 | 0.4° | 0.0° |
| C13 | C15 | C19 | C18 | 0.0° | 0.0° |
| C15 | C13 | C14 | H141 | 179.6° | 180.0° |
| C13 | C15 | C19 | H191 | 180.0° | 180.0° |
| C14 | C17 | C16 | C18 | 179.1° | 180.0° |
| C14 | C17 | C16 | O20 | 108.3° | 0.0° |
| C14 | C17 | C16 | O21 | 70.7° | 180.0° |
| C14 | C17 | C18 | C19 | 0.2° | 0.0° |
| C14 | C17 | C18 | H181 | 179.8° | 179.9° |
| C15 | C19 | C18 | C17 | 0.1° | 0.0° |
| C15 | C19 | C18 | H191 | 180.0° | 180.0° |
| C15 | C19 | C18 | H181 | 179.9° | 179.9° |
| C17 | C16 | O20 | O21 | 179.1° | 180.0° |
| C16 | C17 | C18 | C19 | 179.3° | 180.0° |
| C17 | C16 | O21 | C22 | 68.9° | 180.0° |
| C16 | C17 | C14 | H141 | 0.4° | 0.0° |
| C16 | C17 | C18 | H181 | 0.7° | 0.1° |
| O20 | C16 | C17 | C18 | 72.5° | 180.0° |
| O20 | C16 | O21 | C22 | 110.2° | 0.1° |
| O21 | C16 | C17 | C18 | 108.5° | 0.0° |
| C16 | O21 | C22 | H221 | 180.0° | 59.9° |
| C16 | O21 | C22 | H223 | 60.0° | 60.1° |
| C16 | O21 | C22 | H222 | 60.0° | 180.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C18 | C17 | C14 | H141 | 179.6° | 180.0° |
| C17 | C18 | C19 | H191 | 180.0° | 180.0° |
| O21 | C22 | H221 | H223 | 120.0° | 120.0° |
| O21 | C22 | H221 | H222 | 120.0° | 120.0° |
| O21 | C22 | H223 | H222 | 120.0° | 119.9° |
| H221 | C22 | H223 | H222 | 120.0° | 120.1° |
| H041 | C04 | C05 | H051 | 0.5° | 0.1° |
| H041 | C04 | C08 | H081 | 0.6° | 0.0° |
| H181 | C18 | C19 | H191 | 0.0° | 0.1° |






