A1L0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | P05 | sing | 1.81Å | 1.86Å | |
| P05 | O06 | sing | 1.61Å | 1.64Å | |
| O06 | C07 | sing | 1.43Å | 1.40Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | O09 | sing | 1.43Å | 1.40Å | |
| O09 | C10 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| P05 | O17 | doub | 1.48Å | 1.51Å | |
| P05 | O18 | sing | 1.61Å | 1.51Å | |
| C04 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C01 | C21 | sing | 1.48Å | 1.53Å | |
| C21 | O22 | doub | 1.21Å | 1.26Å | |
| C21 | O23 | sing | 1.35Å | 1.26Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| O18 | H1 | sing | 0.97Å | 0.95Å | |
| O23 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.3° | 119.9° |
| C02 | C01 | C20 | 119.6° | 119.7° |
| C02 | C01 | C21 | 120.9° | 120.2° |
| C01 | C02 | H021 | 119.9° | 120.0° |
| C02 | C03 | C04 | 120.2° | 120.2° |
| C03 | C02 | H021 | 119.8° | 120.1° |
| C02 | C03 | H031 | 119.9° | 119.9° |
| C03 | C04 | P05 | 121.7° | 119.9° |
| C03 | C04 | C19 | 119.0° | 120.3° |
| C04 | C03 | H031 | 119.9° | 119.9° |
| C04 | P05 | O06 | 107.9° | 109.4° |
| C04 | P05 | O17 | 110.6° | 109.5° |
| C04 | P05 | O18 | 111.1° | 109.5° |
| P05 | C04 | C19 | 119.3° | 119.8° |
| P05 | O06 | C07 | 118.9° | 123.0° |
| O06 | P05 | O17 | 109.2° | 109.5° |
| O06 | P05 | O18 | 108.7° | 109.5° |
| O06 | C07 | C08 | 108.5° | 109.5° |
| O06 | C07 | H072 | 109.7° | 109.4° |
| O06 | C07 | H071 | 109.7° | 109.5° |
| C07 | C08 | O09 | 109.3° | 109.4° |
| C08 | C07 | H072 | 109.7° | 109.4° |
| C08 | C07 | H071 | 109.7° | 109.5° |
| C07 | C08 | H081 | 109.5° | 109.4° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| C08 | O09 | C10 | 113.5° | 114.0° |
| O09 | C08 | H081 | 109.5° | 109.5° |
| O09 | C08 | H082 | 109.5° | 109.5° |
| O09 | C10 | C11 | 109.5° | 109.4° |
| O09 | C10 | H101 | 109.5° | 109.5° |
| O09 | C10 | H102 | 109.4° | 109.5° |
| C10 | C11 | C12 | 119.9° | 120.0° |
| C10 | C11 | C16 | 120.2° | 120.0° |
| C11 | C10 | H101 | 109.5° | 109.4° |
| C11 | C10 | H102 | 109.5° | 109.5° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C12 | C11 | C16 | 119.9° | 120.0° |
| C11 | C12 | H121 | 120.1° | 120.0° |
| C12 | C13 | C14 | 120.4° | 120.0° |
| C12 | C13 | H131 | 119.8° | 120.0° |
| C13 | C12 | H121 | 120.1° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C14 | C13 | H131 | 119.8° | 120.0° |
| C13 | C14 | H141 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | H151 | 120.0° | 120.0° |
| C15 | C14 | H141 | 120.1° | 120.0° |
| C15 | C16 | C11 | 120.1° | 120.0° |
| C16 | C15 | H151 | 120.0° | 120.0° |
| C15 | C16 | H161 | 119.9° | 120.0° |
| C11 | C16 | H161 | 120.0° | 120.0° |
| O17 | P05 | O18 | 109.3° | 109.5° |
| P05 | O18 | H1 | 109.5° | 114.0° |
| C04 | C19 | C20 | 121.2° | 120.2° |
| C04 | C19 | H191 | 119.4° | 119.9° |
| C19 | C20 | C01 | 119.7° | 119.8° |
| C19 | C20 | H201 | 120.1° | 120.1° |
| C20 | C19 | H191 | 119.4° | 119.9° |
| C20 | C01 | C21 | 119.4° | 120.1° |
| C01 | C20 | H201 | 120.1° | 120.1° |
| C01 | C21 | O22 | 120.0° | 120.0° |
| C01 | C21 | O23 | 120.2° | 120.0° |
| O22 | C21 | O23 | 119.7° | 120.0° |
| C21 | O23 | H2 | 109.5° | 117.1° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C20 | C19 | 0.1° | 0.3° |
| C02 | C01 | C20 | C21 | 179.9° | 179.9° |
| C02 | C01 | C21 | O22 | 177.5° | 0.0° |
| C02 | C01 | C21 | O23 | 2.3° | 180.0° |
| C02 | C01 | C20 | H201 | 180.0° | 180.0° |
| C01 | C02 | C03 | H031 | 179.8° | 179.9° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | P05 | 179.5° | 180.0° |
| C02 | C03 | C04 | C19 | 0.4° | 0.3° |
| C03 | C02 | C01 | C20 | 0.1° | 0.0° |
| C03 | C02 | C01 | C21 | 180.0° | 179.9° |
| C03 | C04 | P05 | C19 | 179.1° | 179.7° |
| C03 | C04 | P05 | O06 | 106.6° | 175.0° |
| C03 | C04 | P05 | O17 | 12.9° | 65.0° |
| C03 | C04 | P05 | O18 | 134.4° | 55.0° |
| C03 | C04 | C19 | C20 | 0.5° | 0.6° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C19 | H191 | 179.5° | 180.0° |
| C04 | P05 | O06 | O17 | 120.3° | 120.0° |
| C04 | P05 | O06 | O18 | 120.5° | 120.0° |
| C04 | P05 | O06 | C07 | 141.6° | 175.0° |
| C04 | P05 | O17 | O18 | 122.6° | 120.0° |
| P05 | C04 | C19 | C20 | 179.6° | 179.7° |
| P05 | C04 | C03 | H031 | 0.5° | 0.1° |
| P05 | C04 | C19 | H191 | 0.4° | 0.3° |
| C04 | P05 | O18 | H1 | 122.3° | 60.0° |
| P05 | O06 | C07 | C08 | 128.4° | 180.0° |
| O06 | P05 | O17 | O18 | 118.8° | 120.0° |
| O06 | P05 | C04 | C19 | 72.5° | 4.7° |
| P05 | O06 | C07 | H072 | 8.6° | 60.1° |
| P05 | O06 | C07 | H071 | 111.7° | 59.9° |
| O06 | P05 | O18 | H1 | 119.1° | 60.0° |
| O06 | C07 | C08 | H072 | 119.8° | 119.9° |
| O06 | C07 | C08 | H071 | 119.8° | 120.0° |
| O06 | C07 | C08 | O09 | 174.4° | 65.1° |
| C07 | O06 | P05 | O17 | 98.0° | 55.0° |
| C07 | O06 | P05 | O18 | 21.1° | 65.0° |
| O06 | C07 | H072 | H071 | 120.4° | 120.0° |
| O06 | C07 | C08 | H081 | 65.7° | 175.0° |
| O06 | C07 | C08 | H082 | 54.4° | 55.0° |
| C07 | C08 | O09 | H081 | 120.0° | 119.9° |
| C07 | C08 | O09 | H082 | 120.0° | 120.0° |
| C07 | C08 | O09 | C10 | 73.0° | 180.0° |
| C08 | C07 | H072 | H071 | 120.5° | 120.1° |
| C07 | C08 | H081 | H082 | 120.0° | 120.0° |
| C08 | O09 | C10 | C11 | 112.5° | 180.0° |
| C08 | O09 | C10 | H101 | 127.4° | 60.0° |
| C08 | O09 | C10 | H102 | 7.5° | 60.0° |
| O09 | C08 | C07 | H072 | 54.6° | 175.0° |
| O09 | C08 | C07 | H071 | 65.8° | 55.0° |
| O09 | C08 | H081 | H082 | 120.1° | 120.1° |
| O09 | C10 | C11 | H101 | 120.0° | 120.0° |
| O09 | C10 | C11 | H102 | 120.0° | 120.0° |
| O09 | C10 | C11 | C12 | 72.1° | 90.0° |
| O09 | C10 | C11 | C16 | 108.2° | 90.6° |
| O09 | C10 | H101 | H102 | 120.0° | 120.1° |
| C10 | O09 | C08 | H081 | 46.9° | 60.1° |
| C10 | O09 | C08 | H082 | 167.0° | 60.0° |
| C10 | C11 | C12 | C16 | 179.7° | 179.4° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C16 | C15 | 180.0° | 179.7° |
| C11 | C10 | H101 | H102 | 120.0° | 120.0° |
| C10 | C11 | C12 | H121 | 0.1° | 0.0° |
| C10 | C11 | C16 | H161 | 0.0° | 0.2° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C16 | C15 | 0.3° | 0.9° |
| C12 | C11 | C10 | H101 | 47.9° | 149.9° |
| C12 | C11 | C10 | H102 | 167.9° | 30.0° |
| C11 | C12 | C13 | H131 | 180.0° | 179.8° |
| C12 | C11 | C16 | H161 | 179.7° | 179.2° |
| C12 | C13 | C14 | H131 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C12 | C11 | C16 | 0.2° | 0.6° |
| C12 | C13 | C14 | H141 | 179.9° | 179.8° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H151 | 180.0° | 179.5° |
| C14 | C13 | C12 | H121 | 180.0° | 180.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.4° |
| C14 | C15 | C16 | C11 | 0.2° | 0.6° |
| C15 | C14 | C13 | H131 | 180.0° | 180.0° |
| C14 | C15 | C16 | H161 | 179.8° | 179.5° |
| C15 | C16 | C11 | H161 | 180.0° | 179.9° |
| C16 | C15 | C14 | H141 | 180.0° | 179.9° |
| C16 | C11 | C10 | H101 | 131.8° | 29.4° |
| C16 | C11 | C10 | H102 | 11.8° | 149.4° |
| C11 | C16 | C15 | H151 | 179.8° | 179.9° |
| C16 | C11 | C12 | H121 | 179.8° | 179.4° |
| O17 | P05 | C04 | C19 | 168.1° | 115.3° |
| O17 | P05 | O18 | H1 | 0.0° | 180.0° |
| O18 | P05 | C04 | C19 | 46.5° | 124.7° |
| C04 | C19 | C20 | H191 | 180.0° | 179.4° |
| C04 | C19 | C20 | C01 | 0.2° | 0.6° |
| C04 | C19 | C20 | H201 | 179.8° | 179.7° |
| C19 | C04 | C03 | H031 | 179.5° | 179.7° |
| C19 | C20 | C01 | H201 | 180.0° | 179.7° |
| C19 | C20 | C01 | C21 | 180.0° | 179.6° |
| C20 | C01 | C21 | O22 | 2.4° | 180.0° |
| C20 | C01 | C21 | O23 | 177.8° | 0.1° |
| C20 | C01 | C02 | H021 | 179.9° | 180.0° |
| C01 | C20 | C19 | H191 | 179.8° | 180.0° |
| C01 | C21 | O22 | O23 | 179.8° | 180.0° |
| C21 | C01 | C20 | H201 | 0.0° | 0.1° |
| C21 | C01 | C02 | H021 | 0.0° | 0.1° |
| C01 | C21 | O23 | H2 | 179.9° | 180.0° |
| O22 | C21 | O23 | H2 | 0.0° | 0.0° |
| H131 | C13 | C12 | H121 | 0.0° | 0.3° |
| H131 | C13 | C14 | H141 | 0.0° | 0.0° |
| H151 | C15 | C14 | H141 | 0.0° | 0.5° |
| H151 | C15 | C16 | H161 | 0.2° | 0.0° |
| H201 | C20 | C19 | H191 | 0.2° | 0.3° |
| H021 | C02 | C03 | H031 | 0.2° | 0.1° |
| H072 | C07 | C08 | H081 | 174.5° | 55.0° |
| H072 | C07 | C08 | H082 | 65.5° | 65.0° |
| H071 | C07 | C08 | H081 | 54.2° | 65.0° |
| H071 | C07 | C08 | H082 | 174.2° | 175.0° |
