U0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| N03 | C02 | doub | 1.29Å | 1.38Å | Aromatic |
| N04 | N03 | sing | 1.26Å | 1.48Å | Aromatic |
| C05 | N04 | doub | 1.29Å | 1.38Å | Aromatic |
| N07 | C06 | sing | 1.47Å | 1.26Å | |
| C08 | N07 | sing | 1.48Å | 1.28Å | |
| C09 | C08 | sing | 1.53Å | 1.65Å | |
| C10 | C09 | sing | 1.50Å | 1.36Å | |
| C11 | C10 | doub | 1.30Å | 1.53Å | |
| F12 | C11 | sing | 1.35Å | 1.34Å | |
| C13 | C11 | sing | 1.50Å | 1.42Å | |
| C06 | C05 | sing | 1.51Å | 1.54Å | |
| S14 | C05 | sing | 1.71Å | 1.64Å | Aromatic |
| C02 | S14 | sing | 1.71Å | 1.64Å | Aromatic |
| N07 | C13 | sing | 1.47Å | 1.57Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 124.7° | 125.7° |
| C01 | C02 | S14 | 125.3° | 125.8° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | N03 | N04 | 111.1° | 116.5° |
| N03 | C02 | S14 | 110.1° | 108.6° |
| N03 | N04 | C05 | 111.2° | 116.4° |
| N04 | C05 | C06 | 124.7° | 125.6° |
| N04 | C05 | S14 | 109.8° | 108.6° |
| C06 | N07 | C08 | 116.8° | 111.0° |
| N07 | C06 | C05 | 113.8° | 109.5° |
| C06 | N07 | C13 | 113.1° | 111.1° |
| N07 | C06 | H061 | 108.4° | 109.4° |
| N07 | C06 | H062 | 108.4° | 109.4° |
| N07 | C08 | C09 | 111.6° | 108.2° |
| C08 | N07 | C13 | 113.9° | 110.1° |
| N07 | C08 | H082 | 108.9° | 109.6° |
| N07 | C08 | H081 | 108.9° | 109.7° |
| C08 | C09 | C10 | 113.0° | 109.8° |
| C09 | C08 | H082 | 108.9° | 109.9° |
| C09 | C08 | H081 | 109.0° | 109.7° |
| C08 | C09 | H092 | 108.6° | 109.5° |
| C08 | C09 | H091 | 108.6° | 109.4° |
| C09 | C10 | C11 | 118.7° | 122.8° |
| C09 | C10 | H101 | 120.7° | 118.6° |
| C10 | C09 | H092 | 108.6° | 109.4° |
| C10 | C09 | H091 | 108.6° | 109.4° |
| C10 | C11 | F12 | 120.2° | 118.3° |
| C10 | C11 | C13 | 117.5° | 123.3° |
| C11 | C10 | H101 | 120.7° | 118.6° |
| F12 | C11 | C13 | 118.1° | 118.4° |
| C11 | C13 | N07 | 113.5° | 110.3° |
| C11 | C13 | H132 | 108.4° | 109.4° |
| C11 | C13 | H131 | 108.5° | 109.3° |
| C06 | C05 | S14 | 125.5° | 125.7° |
| C05 | C06 | H061 | 108.4° | 109.5° |
| C05 | C06 | H062 | 108.4° | 109.5° |
| C05 | S14 | C02 | 97.8° | 89.9° |
| N07 | C13 | H132 | 108.5° | 109.3° |
| N07 | C13 | H131 | 108.4° | 109.2° |
| H132 | C13 | H131 | 109.5° | 109.3° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.6° |
| H092 | C09 | H091 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | S14 | 179.6° | 179.8° |
| C01 | C02 | N03 | N04 | 179.9° | 180.0° |
| C01 | C02 | S14 | C05 | 179.7° | 179.9° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | N03 | N04 | C05 | 0.4° | 0.0° |
| N03 | C02 | S14 | C05 | 0.1° | 0.3° |
| N03 | C02 | C01 | H013 | 0.0° | 89.7° |
| N03 | C02 | C01 | H012 | 120.0° | 30.3° |
| N03 | C02 | C01 | H011 | 120.0° | 150.3° |
| N03 | N04 | C05 | C06 | 179.8° | 179.9° |
| N03 | N04 | C05 | S14 | 0.4° | 0.3° |
| N04 | N03 | C02 | S14 | 0.3° | 0.2° |
| N04 | C05 | C06 | N07 | 97.4° | 90.0° |
| N04 | C05 | C06 | S14 | 179.7° | 179.8° |
| N04 | C05 | S14 | C02 | 0.2° | 0.3° |
| N04 | C05 | C06 | H061 | 23.3° | 150.0° |
| N04 | C05 | C06 | H062 | 142.0° | 30.0° |
| C06 | N07 | C08 | C13 | 134.8° | 123.4° |
| C06 | N07 | C08 | C09 | 168.3° | 167.5° |
| C06 | N07 | C13 | C11 | 172.9° | 174.5° |
| N07 | C06 | C05 | H061 | 120.6° | 119.9° |
| N07 | C06 | C05 | H062 | 120.6° | 120.0° |
| N07 | C06 | C05 | S14 | 82.9° | 89.7° |
| C06 | N07 | C13 | H132 | 52.3° | 65.3° |
| C06 | N07 | C13 | H131 | 66.5° | 54.3° |
| N07 | C06 | H061 | H062 | 118.0° | 119.9° |
| C06 | N07 | C08 | H082 | 48.0° | 72.6° |
| C06 | N07 | C08 | H081 | 71.4° | 47.8° |
| N07 | C08 | C09 | H082 | 120.3° | 119.7° |
| N07 | C08 | C09 | H081 | 120.3° | 119.7° |
| N07 | C08 | C09 | C10 | 50.7° | 49.3° |
| C08 | N07 | C13 | C11 | 50.6° | 51.1° |
| C08 | N07 | C06 | C05 | 67.2° | 170.0° |
| C08 | N07 | C13 | H132 | 171.2° | 171.4° |
| C08 | N07 | C13 | H131 | 70.0° | 69.1° |
| C08 | N07 | C06 | H061 | 53.5° | 50.0° |
| C08 | N07 | C06 | H062 | 172.2° | 70.0° |
| N07 | C08 | H082 | H081 | 119.0° | 120.5° |
| N07 | C08 | C09 | H092 | 69.8° | 169.4° |
| N07 | C08 | C09 | H091 | 171.2° | 70.8° |
| C08 | C09 | C10 | H092 | 120.5° | 120.1° |
| C08 | C09 | C10 | H091 | 120.5° | 120.1° |
| C08 | C09 | C10 | C11 | 32.9° | 16.7° |
| C09 | C08 | N07 | C13 | 57.0° | 69.1° |
| C08 | C09 | C10 | H101 | 147.1° | 163.5° |
| C09 | C08 | H082 | H081 | 119.0° | 120.7° |
| C08 | C09 | H092 | H091 | 118.4° | 119.9° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | F12 | 175.8° | 179.6° |
| C09 | C10 | C11 | C13 | 27.7° | 0.3° |
| C10 | C09 | C08 | H082 | 171.0° | 70.4° |
| C10 | C09 | C08 | H081 | 69.6° | 168.9° |
| C10 | C09 | H092 | H091 | 118.4° | 119.8° |
| C10 | C11 | F12 | C13 | 156.3° | 180.0° |
| C10 | C11 | C13 | N07 | 31.2° | 17.0° |
| C10 | C11 | C13 | H132 | 151.8° | 137.3° |
| C10 | C11 | C13 | H131 | 89.4° | 103.0° |
| C11 | C10 | C09 | H092 | 87.7° | 136.8° |
| C11 | C10 | C09 | H091 | 153.4° | 103.4° |
| F12 | C11 | C13 | N07 | 171.8° | 162.9° |
| F12 | C11 | C10 | H101 | 4.2° | 0.2° |
| F12 | C11 | C13 | H132 | 51.2° | 42.7° |
| F12 | C11 | C13 | H131 | 67.6° | 77.0° |
| C11 | C13 | N07 | H132 | 120.6° | 120.3° |
| C11 | C13 | N07 | H131 | 120.6° | 120.2° |
| C13 | C11 | C10 | H101 | 152.3° | 179.9° |
| C11 | C13 | H132 | H131 | 118.1° | 119.7° |
| C06 | C05 | S14 | C02 | 180.0° | 179.9° |
| C05 | C06 | N07 | C13 | 68.0° | 67.2° |
| C05 | C06 | H061 | H062 | 118.0° | 120.1° |
| S14 | C05 | C06 | H061 | 156.5° | 30.2° |
| S14 | C05 | C06 | H062 | 37.7° | 150.3° |
| S14 | C02 | C01 | H013 | 179.6° | 90.0° |
| S14 | C02 | C01 | H012 | 60.4° | 150.0° |
| S14 | C02 | C01 | H011 | 59.5° | 30.0° |
| N07 | C13 | H132 | H131 | 118.1° | 119.5° |
| C13 | N07 | C06 | H061 | 171.4° | 172.8° |
| C13 | N07 | C06 | H062 | 52.7° | 52.9° |
| C13 | N07 | C08 | H082 | 177.3° | 50.8° |
| C13 | N07 | C08 | H081 | 63.4° | 171.2° |
| H101 | C10 | C09 | H092 | 92.4° | 43.4° |
| H101 | C10 | C09 | H091 | 26.6° | 76.5° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H082 | C08 | C09 | H092 | 50.5° | 49.7° |
| H082 | C08 | C09 | H091 | 68.5° | 169.5° |
| H081 | C08 | C09 | H092 | 169.8° | 71.0° |
| H081 | C08 | C09 | H091 | 50.9° | 48.9° |
