61M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N07 | C03 | sing | 1.39Å | 1.42Å | |
| C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.41Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| O09 | C08 | doub | 1.21Å | 1.22Å | |
| C02 | C08 | sing | 1.47Å | 1.51Å | |
| C02 | C01 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| O13 | C11 | doub | 1.21Å | 1.28Å | |
| C11 | O12 | sing | 1.34Å | 1.26Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N07 | H072 | sing | 0.97Å | 1.00Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N07 | C03 | C04 | 119.4° | 120.2° |
| N07 | C03 | C02 | 120.9° | 120.2° |
| C03 | N07 | H071 | 109.5° | 120.0° |
| C03 | N07 | H072 | 109.5° | 120.0° |
| C03 | C04 | C05 | 119.7° | 120.1° |
| C04 | C03 | C02 | 119.7° | 119.6° |
| C03 | C04 | H041 | 120.1° | 119.9° |
| C04 | C05 | C06 | 120.7° | 120.5° |
| C05 | C04 | H041 | 120.2° | 120.0° |
| C04 | C05 | H051 | 119.6° | 119.8° |
| C03 | C02 | C08 | 119.4° | 120.2° |
| C03 | C02 | C01 | 120.6° | 119.5° |
| C05 | C06 | C01 | 119.8° | 120.4° |
| C06 | C05 | H051 | 119.7° | 119.7° |
| C05 | C06 | H061 | 120.1° | 119.8° |
| O09 | C08 | C02 | 121.4° | 120.0° |
| O09 | C08 | C10 | 117.2° | 120.0° |
| C08 | C02 | C01 | 120.0° | 120.3° |
| C02 | C08 | C10 | 121.4° | 120.0° |
| C02 | C01 | C06 | 119.5° | 119.9° |
| C02 | C01 | H011 | 120.3° | 120.1° |
| C06 | C01 | H011 | 120.3° | 120.0° |
| C01 | C06 | H061 | 120.1° | 119.8° |
| C08 | C10 | C11 | 106.3° | 109.5° |
| C08 | C10 | H101 | 110.3° | 109.5° |
| C08 | C10 | H102 | 110.2° | 109.5° |
| C10 | C11 | O13 | 121.0° | 120.0° |
| C10 | C11 | O12 | 116.4° | 120.0° |
| C11 | C10 | H101 | 110.3° | 109.5° |
| C11 | C10 | H102 | 110.3° | 109.5° |
| O13 | C11 | O12 | 122.7° | 120.0° |
| C11 | O12 | H1 | 109.5° | 117.0° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H071 | N07 | H072 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N07 | C03 | C04 | C02 | 179.1° | 180.0° |
| N07 | C03 | C04 | C05 | 179.6° | 180.0° |
| N07 | C03 | C02 | C08 | 1.0° | 0.0° |
| N07 | C03 | C02 | C01 | 179.5° | 180.0° |
| N07 | C03 | C04 | H041 | 0.4° | 0.1° |
| C03 | N07 | H071 | H072 | 120.0° | 179.9° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.4° | 0.3° |
| C04 | C03 | C02 | C08 | 179.9° | 180.0° |
| C04 | C03 | C02 | C01 | 0.4° | 0.0° |
| C03 | C04 | C05 | H051 | 179.6° | 180.0° |
| C04 | C03 | N07 | H071 | 180.0° | 174.5° |
| C04 | C03 | N07 | H072 | 60.0° | 5.4° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.7° |
| C04 | C05 | C06 | C01 | 0.2° | 0.5° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C03 | C02 | C08 | O09 | 17.2° | 5.8° |
| C03 | C02 | C08 | C01 | 179.5° | 180.0° |
| C03 | C02 | C01 | C06 | 0.2° | 0.2° |
| C03 | C02 | C08 | C10 | 164.0° | 174.2° |
| C03 | C02 | C01 | H011 | 179.8° | 180.0° |
| C02 | C03 | C04 | H041 | 179.5° | 179.9° |
| C02 | C03 | N07 | H071 | 0.9° | 5.5° |
| C02 | C03 | N07 | H072 | 119.1° | 174.6° |
| C05 | C06 | C01 | C02 | 0.1° | 0.5° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C06 | C05 | C04 | H041 | 179.6° | 179.8° |
| O09 | C08 | C02 | C10 | 178.8° | 180.0° |
| O09 | C08 | C02 | C01 | 162.4° | 174.2° |
| O09 | C08 | C10 | C11 | 55.0° | 0.0° |
| O09 | C08 | C10 | H101 | 174.5° | 120.0° |
| O09 | C08 | C10 | H102 | 64.5° | 119.9° |
| C08 | C02 | C01 | C06 | 179.8° | 179.7° |
| C02 | C08 | C10 | C11 | 123.9° | 180.0° |
| C02 | C08 | C10 | H101 | 4.4° | 60.0° |
| C02 | C08 | C10 | H102 | 116.6° | 60.1° |
| C08 | C02 | C01 | H011 | 0.3° | 0.0° |
| C02 | C01 | C06 | H011 | 180.0° | 179.8° |
| C01 | C02 | C08 | C10 | 16.5° | 5.8° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| C01 | C06 | C05 | H051 | 179.8° | 179.7° |
| C08 | C10 | C11 | H101 | 119.5° | 120.0° |
| C08 | C10 | C11 | H102 | 119.5° | 120.0° |
| C08 | C10 | C11 | O13 | 85.2° | 0.0° |
| C08 | C10 | C11 | O12 | 94.3° | 180.0° |
| C08 | C10 | H101 | H102 | 121.4° | 120.0° |
| C10 | C11 | O13 | O12 | 179.5° | 180.0° |
| C11 | C10 | H101 | H102 | 121.5° | 120.0° |
| C10 | C11 | O12 | H1 | 179.5° | 180.0° |
| O13 | C11 | C10 | H101 | 155.2° | 120.0° |
| O13 | C11 | C10 | H102 | 34.2° | 120.0° |
| O13 | C11 | O12 | H1 | 0.0° | 0.0° |
| O12 | C11 | C10 | H101 | 25.2° | 60.0° |
| O12 | C11 | C10 | H102 | 146.2° | 60.0° |
| H011 | C01 | C06 | H061 | 0.1° | 0.2° |
| H041 | C04 | C05 | H051 | 0.4° | 0.1° |
| H051 | C05 | C06 | H061 | 0.2° | 0.2° |
