A1C0G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | doub | 1.32Å | 1.35Å | Aromatic |
| N01 | C06 | sing | 1.33Å | 1.36Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C09 | sing | 1.51Å | 1.51Å | |
| C03 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C11 | sing | 1.51Å | 1.51Å | |
| C04 | N05 | sing | 1.32Å | 1.36Å | Aromatic |
| C04 | C08 | sing | 1.51Å | 1.52Å | |
| N05 | C06 | doub | 1.32Å | 1.36Å | Aromatic |
| C06 | N07 | sing | 1.38Å | 1.40Å | |
| N07 | C12 | sing | 1.48Å | 1.46Å | |
| N07 | C14 | sing | 1.48Å | 1.46Å | |
| C09 | C10 | sing | 1.54Å | 1.53Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | C06 | 115.8° | 120.7° |
| N01 | C02 | C03 | 123.1° | 119.1° |
| N01 | C02 | C09 | 125.5° | 131.2° |
| N01 | C06 | N05 | 125.7° | 121.6° |
| N01 | C06 | N07 | 117.0° | 119.2° |
| C03 | C02 | C09 | 111.4° | 109.7° |
| C02 | C03 | C04 | 117.2° | 118.7° |
| C02 | C03 | C11 | 110.4° | 109.8° |
| C02 | C09 | C10 | 102.5° | 105.2° |
| C02 | C09 | H091 | 111.2° | 110.3° |
| C02 | C09 | H092 | 111.2° | 110.3° |
| C04 | C03 | C11 | 132.4° | 131.5° |
| C03 | C04 | N05 | 121.3° | 119.2° |
| C03 | C04 | C08 | 123.6° | 120.4° |
| C03 | C11 | C10 | 102.8° | 105.2° |
| C03 | C11 | H111 | 111.1° | 110.3° |
| C03 | C11 | H112 | 111.1° | 110.2° |
| N05 | C04 | C08 | 115.0° | 120.4° |
| C04 | N05 | C06 | 117.0° | 120.7° |
| C04 | C08 | H081 | 109.5° | 109.5° |
| C04 | C08 | H082 | 109.5° | 109.4° |
| C04 | C08 | H083 | 109.5° | 109.5° |
| N05 | C06 | N07 | 117.3° | 119.2° |
| C06 | N07 | C12 | 131.7° | 111.0° |
| C06 | N07 | C14 | 131.4° | 111.0° |
| C12 | N07 | C14 | 91.9° | 90.8° |
| N07 | C12 | C13 | 90.3° | 86.2° |
| N07 | C12 | C15 | 116.0° | 113.7° |
| N07 | C12 | H121 | 112.0° | 113.9° |
| N07 | C14 | C13 | 90.3° | 86.2° |
| N07 | C14 | H141 | 114.0° | 113.8° |
| N07 | C14 | H142 | 114.0° | 113.9° |
| C09 | C10 | C11 | 107.2° | 102.5° |
| C09 | C10 | H101 | 110.0° | 110.8° |
| C09 | C10 | H102 | 110.1° | 111.0° |
| C10 | C09 | H091 | 111.2° | 110.3° |
| C10 | C09 | H092 | 111.2° | 110.3° |
| C11 | C10 | H101 | 110.1° | 110.8° |
| C11 | C10 | H102 | 110.0° | 110.8° |
| C10 | C11 | H111 | 111.1° | 110.3° |
| C10 | C11 | H112 | 111.1° | 110.3° |
| C13 | C12 | C15 | 115.3° | 113.8° |
| C12 | C13 | C14 | 86.9° | 86.4° |
| C12 | C13 | H131 | 114.8° | 113.7° |
| C12 | C13 | H132 | 114.8° | 113.9° |
| C13 | C12 | H121 | 110.9° | 113.8° |
| C12 | C15 | H151 | 109.5° | 109.5° |
| C12 | C15 | H152 | 109.4° | 109.4° |
| C12 | C15 | H153 | 109.5° | 109.5° |
| C15 | C12 | H121 | 110.8° | 113.0° |
| C14 | C13 | H131 | 114.8° | 113.8° |
| C14 | C13 | H132 | 114.8° | 113.8° |
| C13 | C14 | H141 | 114.0° | 113.7° |
| C13 | C14 | H142 | 114.0° | 113.8° |
| H101 | C10 | H102 | 109.5° | 110.7° |
| H131 | C13 | H132 | 109.5° | 112.9° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.4° | 109.5° |
| H082 | C08 | H083 | 109.4° | 109.4° |
| H091 | C09 | H092 | 109.5° | 110.4° |
| H111 | C11 | H112 | 109.4° | 110.4° |
| H141 | C14 | H142 | 109.5° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C09 | 179.8° | 179.9° |
| N01 | C02 | C03 | C04 | 0.0° | 0.0° |
| N01 | C02 | C03 | C11 | 179.9° | 180.0° |
| C02 | N01 | C06 | N05 | 0.0° | 0.0° |
| C02 | N01 | C06 | N07 | 179.8° | 180.0° |
| N01 | C02 | C09 | C10 | 165.5° | 162.9° |
| N01 | C02 | C09 | H091 | 75.6° | 78.1° |
| N01 | C02 | C09 | H092 | 46.6° | 44.0° |
| C06 | N01 | C02 | C03 | 0.1° | 0.0° |
| C06 | N01 | C02 | C09 | 179.8° | 179.9° |
| N01 | C06 | N05 | C04 | 0.1° | 0.0° |
| N01 | C06 | N05 | N07 | 179.8° | 180.0° |
| N01 | C06 | N07 | C12 | 170.8° | 180.0° |
| N01 | C06 | N07 | C14 | 23.0° | 80.6° |
| C02 | C03 | C04 | C11 | 179.9° | 179.9° |
| C02 | C03 | C04 | N05 | 0.0° | 0.1° |
| C02 | C03 | C04 | C08 | 180.0° | 180.0° |
| C03 | C02 | C09 | C10 | 14.3° | 17.1° |
| C02 | C03 | C11 | C10 | 14.4° | 17.0° |
| C03 | C02 | C09 | H091 | 104.6° | 101.8° |
| C03 | C02 | C09 | H092 | 133.1° | 136.1° |
| C02 | C03 | C11 | H111 | 133.3° | 135.9° |
| C02 | C03 | C11 | H112 | 104.5° | 101.9° |
| C09 | C02 | C03 | C04 | 179.8° | 180.0° |
| C09 | C02 | C03 | C11 | 0.1° | 0.1° |
| C02 | C09 | C10 | H091 | 118.9° | 118.9° |
| C02 | C09 | C10 | H092 | 118.9° | 118.9° |
| C02 | C09 | C10 | C11 | 22.9° | 26.2° |
| C02 | C09 | C10 | H101 | 142.5° | 92.1° |
| C02 | C09 | C10 | H102 | 96.8° | 144.5° |
| C02 | C09 | H091 | H092 | 123.2° | 122.1° |
| C03 | C04 | N05 | C08 | 179.9° | 180.0° |
| C03 | C04 | N05 | C06 | 0.1° | 0.1° |
| C04 | C03 | C11 | C10 | 165.5° | 162.9° |
| C03 | C04 | C08 | H081 | 179.9° | 90.0° |
| C03 | C04 | C08 | H082 | 59.9° | 150.0° |
| C03 | C04 | C08 | H083 | 60.1° | 30.0° |
| C04 | C03 | C11 | H111 | 46.6° | 44.0° |
| C04 | C03 | C11 | H112 | 75.6° | 78.2° |
| C11 | C03 | C04 | N05 | 180.0° | 180.0° |
| C11 | C03 | C04 | C08 | 0.1° | 0.1° |
| C03 | C11 | C10 | C09 | 23.0° | 26.2° |
| C03 | C11 | C10 | H111 | 118.9° | 118.9° |
| C03 | C11 | C10 | H112 | 118.9° | 118.8° |
| C03 | C11 | C10 | H101 | 142.6° | 92.1° |
| C03 | C11 | C10 | H102 | 96.7° | 144.5° |
| C03 | C11 | H111 | H112 | 123.1° | 122.1° |
| C04 | N05 | C06 | N07 | 179.9° | 180.0° |
| N05 | C04 | C08 | H081 | 0.0° | 89.9° |
| N05 | C04 | C08 | H082 | 120.0° | 30.0° |
| N05 | C04 | C08 | H083 | 120.0° | 150.0° |
| C08 | C04 | N05 | C06 | 179.9° | 180.0° |
| C04 | C08 | H081 | H082 | 120.0° | 119.9° |
| C04 | C08 | H081 | H083 | 120.0° | 120.1° |
| C04 | C08 | H082 | H083 | 120.0° | 120.0° |
| N05 | C06 | N07 | C12 | 9.0° | 0.0° |
| N05 | C06 | N07 | C14 | 156.8° | 99.4° |
| C06 | N07 | C12 | C14 | 156.4° | 112.9° |
| C06 | N07 | C12 | C13 | 162.1° | 137.6° |
| C06 | N07 | C12 | C15 | 79.3° | 108.1° |
| C06 | N07 | C14 | C13 | 162.3° | 137.6° |
| C06 | N07 | C12 | H121 | 49.3° | 23.2° |
| C06 | N07 | C14 | H141 | 81.1° | 23.3° |
| C06 | N07 | C14 | H142 | 45.6° | 108.1° |
| N07 | C12 | C13 | C15 | 119.2° | 114.3° |
| N07 | C12 | C13 | H121 | 113.8° | 114.4° |
| N07 | C12 | C15 | H121 | 129.1° | 131.8° |
| C12 | N07 | C14 | C13 | 5.7° | 24.7° |
| N07 | C12 | C13 | H131 | 121.4° | 138.1° |
| N07 | C12 | C13 | H132 | 110.5° | 90.7° |
| N07 | C12 | C15 | H151 | 180.0° | 176.1° |
| N07 | C12 | C15 | H152 | 60.0° | 63.9° |
| N07 | C12 | C15 | H153 | 60.0° | 56.1° |
| C12 | N07 | C14 | H141 | 122.3° | 89.6° |
| C12 | N07 | C14 | H142 | 110.9° | 139.0° |
| C14 | N07 | C12 | C15 | 124.3° | 139.0° |
| N07 | C14 | C13 | H141 | 116.6° | 114.3° |
| N07 | C14 | C13 | H142 | 116.6° | 114.5° |
| N07 | C14 | C13 | H131 | 121.4° | 138.0° |
| N07 | C14 | C13 | H132 | 110.5° | 90.8° |
| C14 | N07 | C12 | H121 | 107.1° | 89.6° |
| N07 | C14 | H141 | H142 | 129.1° | 131.9° |
| C09 | C10 | C11 | H101 | 119.6° | 118.3° |
| C09 | C10 | C11 | H102 | 119.7° | 118.4° |
| C09 | C10 | H101 | H102 | 121.1° | 123.6° |
| C10 | C09 | H091 | H092 | 123.2° | 122.2° |
| C09 | C10 | C11 | H111 | 141.9° | 145.1° |
| C09 | C10 | C11 | H112 | 95.9° | 92.7° |
| C11 | C10 | H101 | H102 | 121.1° | 123.3° |
| C11 | C10 | C09 | H091 | 96.1° | 92.7° |
| C11 | C10 | C09 | H092 | 141.7° | 145.1° |
| C10 | C11 | H111 | H112 | 123.1° | 122.2° |
| C13 | C12 | C15 | H121 | 127.1° | 131.7° |
| C12 | C13 | C14 | H131 | 116.0° | 114.3° |
| C12 | C13 | C14 | H132 | 115.9° | 114.5° |
| C12 | C13 | H131 | H132 | 130.8° | 131.7° |
| C13 | C12 | C15 | H151 | 76.2° | 79.5° |
| C13 | C12 | C15 | H152 | 163.8° | 160.4° |
| C13 | C12 | C15 | H153 | 43.8° | 40.5° |
| C12 | C13 | C14 | H141 | 122.1° | 90.6° |
| C12 | C13 | C14 | H142 | 111.2° | 138.2° |
| C15 | C12 | C13 | C14 | 124.7° | 138.0° |
| C15 | C12 | C13 | H131 | 119.4° | 107.6° |
| C15 | C12 | C13 | H132 | 8.7° | 23.6° |
| C12 | C15 | H151 | H152 | 120.0° | 120.0° |
| C12 | C15 | H151 | H153 | 120.0° | 120.0° |
| C12 | C15 | H152 | H153 | 120.0° | 120.0° |
| C14 | C13 | H131 | H132 | 130.7° | 131.6° |
| C14 | C13 | C12 | H121 | 108.3° | 90.7° |
| C13 | C14 | H141 | H142 | 129.1° | 131.6° |
| H101 | C10 | C09 | H091 | 23.6° | 149.0° |
| H101 | C10 | C09 | H092 | 98.6° | 26.8° |
| H101 | C10 | C11 | H111 | 98.4° | 26.8° |
| H101 | C10 | C11 | H112 | 23.7° | 149.0° |
| H102 | C10 | C09 | H091 | 144.3° | 25.6° |
| H102 | C10 | C09 | H092 | 22.1° | 96.6° |
| H102 | C10 | C11 | H111 | 22.3° | 96.5° |
| H102 | C10 | C11 | H112 | 144.4° | 25.7° |
| H131 | C13 | C12 | H121 | 7.6° | 23.7° |
| H131 | C13 | C14 | H141 | 121.9° | 23.7° |
| H131 | C13 | C14 | H142 | 4.8° | 107.5° |
| H132 | C13 | C12 | H121 | 135.8° | 154.9° |
| H132 | C13 | C14 | H141 | 6.2° | 154.9° |
| H132 | C13 | C14 | H142 | 132.9° | 23.7° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H151 | C15 | C12 | H121 | 50.9° | 52.1° |
| H152 | C15 | C12 | H121 | 69.1° | 67.9° |
| H153 | C15 | C12 | H121 | 170.9° | 172.1° |
| H081 | C08 | H082 | H083 | 119.9° | 120.0° |
