7AN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | N01 | sing | 1.37Å | 1.33Å | Aromatic |
| C06 | C01 | doub | 1.34Å | 1.39Å | Aromatic |
| N01 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.48Å | |
| C01 | C03 | sing | 1.46Å | 1.43Å | Aromatic |
| C04 | C08 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.38Å | Aromatic |
| C02 | C05 | sing | 1.53Å | 1.49Å | |
| C05 | N | sing | 1.47Å | 1.42Å | |
| C08 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| N | C11 | sing | 1.35Å | 1.42Å | |
| C10 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C09 | sing | 1.37Å | 1.39Å | Aromatic |
| C11 | O | doub | 1.21Å | 1.23Å | |
| C11 | C | sing | 1.51Å | 1.50Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C06 | C01 | 108.5° | 109.9° |
| C06 | N01 | C04 | 109.8° | 109.9° |
| C06 | N01 | H6 | 125.1° | 125.1° |
| N01 | C06 | H11 | 125.7° | 125.1° |
| C06 | C01 | C02 | 125.4° | 126.5° |
| C06 | C01 | C03 | 106.9° | 107.0° |
| C01 | C06 | H11 | 125.7° | 125.0° |
| N01 | C04 | C08 | 130.3° | 133.5° |
| N01 | C04 | C03 | 108.9° | 107.1° |
| C04 | N01 | H6 | 125.1° | 125.0° |
| C02 | C01 | C03 | 127.6° | 126.5° |
| C01 | C02 | C05 | 111.9° | 109.5° |
| C01 | C02 | H7 | 108.9° | 109.4° |
| C01 | C02 | H8 | 108.9° | 109.5° |
| C01 | C03 | C04 | 105.9° | 106.1° |
| C01 | C03 | C07 | 134.2° | 134.0° |
| C08 | C04 | C03 | 120.8° | 119.4° |
| C04 | C08 | C10 | 119.3° | 119.8° |
| C04 | C08 | H13 | 120.4° | 120.1° |
| C04 | C03 | C07 | 119.9° | 119.9° |
| C02 | C05 | N | 116.7° | 109.5° |
| C05 | C02 | H7 | 108.9° | 109.5° |
| C05 | C02 | H8 | 108.9° | 109.5° |
| C02 | C05 | H9 | 107.6° | 109.5° |
| C02 | C05 | H10 | 107.7° | 109.5° |
| C05 | N | C11 | 119.6° | 120.0° |
| C05 | N | H2 | 120.2° | 119.9° |
| N | C05 | H9 | 107.6° | 109.4° |
| N | C05 | H10 | 107.6° | 109.5° |
| C08 | C10 | C09 | 120.2° | 120.7° |
| C08 | C10 | H1 | 119.9° | 119.7° |
| C10 | C08 | H13 | 120.4° | 120.1° |
| C03 | C07 | C09 | 119.1° | 119.8° |
| C03 | C07 | H12 | 120.5° | 120.1° |
| N | C11 | O | 119.3° | 120.0° |
| N | C11 | C | 118.1° | 120.0° |
| C11 | N | H2 | 120.2° | 120.0° |
| C10 | C09 | C07 | 120.7° | 120.5° |
| C09 | C10 | H1 | 119.9° | 119.7° |
| C10 | C09 | H14 | 119.6° | 119.7° |
| C09 | C07 | H12 | 120.4° | 120.1° |
| C07 | C09 | H14 | 119.6° | 119.8° |
| O | C11 | C | 122.6° | 120.0° |
| C11 | C | H3 | 109.5° | 109.5° |
| C11 | C | H4 | 109.5° | 109.4° |
| C11 | C | H5 | 109.5° | 109.5° |
| H3 | C | H4 | 109.5° | 109.5° |
| H3 | C | H5 | 109.5° | 109.5° |
| H4 | C | H5 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.4° | 109.5° |
| H9 | C05 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C06 | C01 | H11 | 180.0° | 179.8° |
| C06 | N01 | C04 | H6 | 180.0° | 179.9° |
| N01 | C06 | C01 | C02 | 179.4° | 179.5° |
| N01 | C06 | C01 | C03 | 0.9° | 0.3° |
| C06 | N01 | C04 | C08 | 179.7° | 180.0° |
| C06 | N01 | C04 | C03 | 0.4° | 0.0° |
| C01 | C06 | N01 | C04 | 0.8° | 0.2° |
| C06 | C01 | C02 | C03 | 178.2° | 179.8° |
| C06 | C01 | C03 | C04 | 0.6° | 0.3° |
| C06 | C01 | C02 | C05 | 63.3° | 94.8° |
| C06 | C01 | C03 | C07 | 179.5° | 179.8° |
| C01 | C06 | N01 | H6 | 179.1° | 179.8° |
| C06 | C01 | C02 | H7 | 176.3° | 25.2° |
| C06 | C01 | C02 | H8 | 57.1° | 145.2° |
| N01 | C04 | C03 | C01 | 0.1° | 0.1° |
| N01 | C04 | C08 | C03 | 179.8° | 179.9° |
| N01 | C04 | C08 | C10 | 180.0° | 180.0° |
| N01 | C04 | C03 | C07 | 180.0° | 179.7° |
| C04 | N01 | C06 | H11 | 179.2° | 180.0° |
| N01 | C04 | C08 | H13 | 0.1° | 0.0° |
| C02 | C01 | C03 | C04 | 179.0° | 179.6° |
| C01 | C02 | C05 | H7 | 120.3° | 120.0° |
| C01 | C02 | C05 | H8 | 120.4° | 120.0° |
| C01 | C02 | C05 | N | 165.2° | 180.0° |
| C02 | C01 | C03 | C07 | 1.1° | 0.0° |
| C01 | C02 | H7 | H8 | 118.9° | 120.0° |
| C01 | C02 | C05 | H9 | 73.8° | 60.0° |
| C01 | C02 | C05 | H10 | 44.2° | 60.0° |
| C02 | C01 | C06 | H11 | 0.6° | 0.3° |
| C01 | C03 | C04 | C08 | 179.8° | 179.8° |
| C01 | C03 | C04 | C07 | 179.9° | 179.6° |
| C03 | C01 | C02 | C05 | 114.9° | 85.0° |
| C01 | C03 | C07 | C09 | 179.6° | 180.0° |
| C03 | C01 | C02 | H7 | 5.5° | 155.0° |
| C03 | C01 | C02 | H8 | 124.7° | 35.0° |
| C03 | C01 | C06 | H11 | 179.1° | 179.9° |
| C01 | C03 | C07 | H12 | 0.4° | 0.5° |
| C04 | C08 | C10 | H13 | 180.0° | 180.0° |
| C08 | C04 | C03 | C07 | 0.1° | 0.2° |
| C04 | C08 | C10 | C09 | 0.4° | 0.1° |
| C04 | C08 | C10 | H1 | 179.6° | 179.7° |
| C08 | C04 | N01 | H6 | 0.3° | 0.1° |
| C03 | C04 | C08 | C10 | 0.2° | 0.1° |
| C04 | C03 | C07 | C09 | 0.2° | 0.5° |
| C03 | C04 | N01 | H6 | 179.5° | 180.0° |
| C04 | C03 | C07 | H12 | 179.8° | 180.0° |
| C03 | C04 | C08 | H13 | 179.8° | 180.0° |
| C02 | C05 | N | H9 | 121.0° | 120.0° |
| C02 | C05 | N | H10 | 121.1° | 120.0° |
| C02 | C05 | N | C11 | 132.4° | 180.0° |
| C02 | C05 | N | H2 | 47.6° | 0.1° |
| C05 | C02 | H7 | H8 | 118.9° | 120.0° |
| C02 | C05 | H9 | H10 | 116.7° | 120.0° |
| C05 | N | C11 | H2 | 180.0° | 179.9° |
| C05 | N | C11 | O | 0.0° | 0.0° |
| C05 | N | C11 | C | 179.7° | 180.0° |
| N | C05 | C02 | H7 | 44.8° | 60.0° |
| N | C05 | C02 | H8 | 74.4° | 60.0° |
| N | C05 | H9 | H10 | 116.7° | 119.9° |
| C08 | C10 | C09 | H1 | 180.0° | 179.8° |
| C08 | C10 | C09 | C07 | 0.5° | 0.2° |
| C08 | C10 | C09 | H14 | 179.6° | 179.7° |
| C03 | C07 | C09 | C10 | 0.4° | 0.5° |
| C03 | C07 | C09 | H12 | 180.0° | 179.5° |
| C03 | C07 | C09 | H14 | 179.6° | 179.4° |
| N | C11 | O | C | 179.7° | 180.0° |
| N | C11 | C | H3 | 179.7° | 90.0° |
| N | C11 | C | H4 | 59.7° | 150.0° |
| N | C11 | C | H5 | 60.3° | 30.0° |
| C11 | N | C05 | H9 | 106.6° | 60.0° |
| C11 | N | C05 | H10 | 11.4° | 59.9° |
| C10 | C09 | C07 | H14 | 180.0° | 179.9° |
| C10 | C09 | C07 | H12 | 179.6° | 180.0° |
| C09 | C10 | C08 | H13 | 179.6° | 180.0° |
| C07 | C09 | C10 | H1 | 179.5° | 180.0° |
| O | C11 | N | H2 | 180.0° | 179.9° |
| O | C11 | C | H3 | 0.0° | 90.0° |
| O | C11 | C | H4 | 120.0° | 30.0° |
| O | C11 | C | H5 | 120.0° | 150.0° |
| C | C11 | N | H2 | 0.3° | 0.1° |
| C11 | C | H3 | H4 | 120.0° | 120.0° |
| C11 | C | H3 | H5 | 120.0° | 120.0° |
| C11 | C | H4 | H5 | 120.0° | 120.0° |
| H1 | C10 | C08 | H13 | 0.4° | 0.3° |
| H1 | C10 | C09 | H14 | 0.5° | 0.1° |
| H2 | N | C05 | H9 | 73.4° | 120.1° |
| H2 | N | C05 | H10 | 168.7° | 120.0° |
| H3 | C | H4 | H5 | 120.0° | 120.0° |
| H6 | N01 | C06 | H11 | 0.9° | 0.0° |
| H7 | C02 | C05 | H9 | 165.9° | 60.0° |
| H7 | C02 | C05 | H10 | 76.2° | 180.0° |
| H8 | C02 | C05 | H9 | 46.6° | 180.0° |
| H8 | C02 | C05 | H10 | 164.5° | 60.0° |
| H12 | C07 | C09 | H14 | 0.4° | 0.1° |
