U7I
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O14 | C13 | doub | 1.21Å | 1.18Å | |
N12 | C13 | sing | 1.35Å | 1.49Å | |
N12 | C10 | sing | 1.35Å | 1.45Å | |
C13 | N07 | sing | 1.35Å | 1.49Å | |
C01 | C02 | sing | 1.53Å | 1.53Å | |
O11 | C10 | doub | 1.22Å | 1.19Å | |
C10 | C09 | sing | 1.42Å | 1.49Å | |
F18 | C02 | sing | 1.40Å | 1.48Å | |
C02 | C06 | sing | 1.54Å | 1.58Å | |
C02 | C03 | sing | 1.54Å | 1.23Å | |
N07 | C06 | sing | 1.46Å | 1.34Å | |
N07 | C08 | sing | 1.37Å | 1.45Å | |
C06 | O05 | sing | 1.44Å | 1.53Å | |
C09 | C08 | doub | 1.35Å | 1.49Å | |
C03 | O17 | sing | 1.43Å | 1.48Å | |
C03 | C04 | sing | 1.55Å | 1.66Å | |
O05 | C04 | sing | 1.44Å | 1.27Å | |
C04 | C15 | sing | 1.53Å | 1.51Å | |
C15 | O16 | sing | 1.43Å | 1.40Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C08 | H081 | sing | 1.08Å | 1.08Å | |
C09 | H091 | sing | 1.08Å | 1.08Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
N12 | H121 | sing | 0.97Å | 1.00Å | |
O16 | H161 | sing | 0.97Å | 0.95Å | |
O17 | H171 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O14 | C13 | N12 | 119.6° | 119.5° |
O14 | C13 | N07 | 120.1° | 119.6° |
C13 | N12 | C10 | 120.1° | 120.2° |
N12 | C13 | N07 | 120.3° | 120.9° |
C13 | N12 | H121 | 119.9° | 119.8° |
N12 | C10 | O11 | 119.9° | 120.3° |
N12 | C10 | C09 | 120.0° | 119.5° |
C10 | N12 | H121 | 120.0° | 119.9° |
C13 | N07 | C06 | 121.2° | 119.6° |
C13 | N07 | C08 | 119.6° | 120.6° |
C01 | C02 | F18 | 109.5° | 110.4° |
C01 | C02 | C06 | 113.9° | 110.5° |
C01 | C02 | C03 | 110.0° | 110.5° |
C02 | C01 | H011 | 109.5° | 109.5° |
C02 | C01 | H012 | 109.5° | 109.5° |
C02 | C01 | H013 | 109.5° | 109.5° |
O11 | C10 | C09 | 120.1° | 120.3° |
C10 | C09 | C08 | 119.7° | 119.1° |
C10 | C09 | H091 | 120.2° | 120.5° |
F18 | C02 | C06 | 110.0° | 110.5° |
F18 | C02 | C03 | 109.3° | 110.6° |
C06 | C02 | C03 | 104.0° | 104.1° |
C02 | C06 | N07 | 112.7° | 110.4° |
C02 | C06 | O05 | 103.8° | 104.8° |
C02 | C06 | H061 | 108.5° | 110.4° |
C02 | C03 | O17 | 110.9° | 110.6° |
C02 | C03 | C04 | 103.7° | 104.1° |
C02 | C03 | H031 | 114.0° | 110.5° |
C06 | N07 | C08 | 119.3° | 119.8° |
N07 | C06 | O05 | 110.3° | 110.3° |
N07 | C06 | H061 | 112.0° | 110.5° |
N07 | C08 | C09 | 120.4° | 119.7° |
N07 | C08 | H081 | 119.8° | 120.1° |
C06 | O05 | C04 | 105.6° | 105.3° |
O05 | C06 | H061 | 109.1° | 110.3° |
C09 | C08 | H081 | 119.8° | 120.2° |
C08 | C09 | H091 | 120.1° | 120.4° |
O17 | C03 | C04 | 110.6° | 110.5° |
O17 | C03 | H031 | 109.8° | 110.4° |
C03 | O17 | H171 | 109.5° | 114.0° |
C03 | C04 | O05 | 104.4° | 104.8° |
C03 | C04 | C15 | 108.5° | 110.4° |
C04 | C03 | H031 | 107.6° | 110.6° |
C03 | C04 | H041 | 107.9° | 110.4° |
O05 | C04 | C15 | 112.4° | 110.4° |
O05 | C04 | H041 | 113.6° | 110.5° |
C04 | C15 | O16 | 109.0° | 109.5° |
C15 | C04 | H041 | 109.6° | 110.3° |
C04 | C15 | H152 | 109.6° | 109.5° |
C04 | C15 | H151 | 109.6° | 109.5° |
O16 | C15 | H152 | 109.6° | 109.5° |
O16 | C15 | H151 | 109.6° | 109.5° |
C15 | O16 | H161 | 109.5° | 114.0° |
H011 | C01 | H012 | 109.5° | 109.4° |
H011 | C01 | H013 | 109.4° | 109.5° |
H012 | C01 | H013 | 109.5° | 109.5° |
H152 | C15 | H151 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O14 | C13 | N12 | N07 | 179.3° | 180.0° |
O14 | C13 | N12 | C10 | 179.7° | 179.7° |
O14 | C13 | N07 | C06 | 0.6° | 0.0° |
O14 | C13 | N07 | C08 | 179.9° | 180.0° |
O14 | C13 | N12 | H121 | 0.3° | 0.1° |
C13 | N12 | C10 | H121 | 180.0° | 179.8° |
C13 | N12 | C10 | O11 | 179.8° | 179.8° |
C13 | N12 | C10 | C09 | 0.2° | 0.2° |
N12 | C13 | N07 | C06 | 179.9° | 180.0° |
N12 | C13 | N07 | C08 | 0.7° | 0.0° |
C10 | N12 | C13 | N07 | 0.5° | 0.2° |
N12 | C10 | O11 | C09 | 180.0° | 180.0° |
N12 | C10 | C09 | C08 | 0.0° | 0.0° |
N12 | C10 | C09 | H091 | 180.0° | 180.0° |
C13 | N07 | C06 | C02 | 85.7° | 85.3° |
C13 | N07 | C06 | C08 | 179.4° | 180.0° |
C13 | N07 | C06 | O05 | 158.8° | 159.4° |
C13 | N07 | C08 | C09 | 0.5° | 0.3° |
C13 | N07 | C06 | H061 | 37.1° | 37.1° |
C13 | N07 | C08 | H081 | 179.5° | 180.0° |
N07 | C13 | N12 | H121 | 179.5° | 180.0° |
C01 | C02 | F18 | C06 | 125.9° | 122.6° |
C01 | C02 | F18 | C03 | 120.5° | 122.7° |
C01 | C02 | C06 | C03 | 119.7° | 118.7° |
C01 | C02 | C06 | N07 | 23.1° | 24.1° |
C01 | C02 | C06 | O05 | 142.5° | 94.7° |
C01 | C02 | C03 | O17 | 81.8° | 122.7° |
C01 | C02 | C03 | C04 | 159.5° | 118.7° |
C02 | C01 | H011 | H012 | 120.0° | 120.0° |
C02 | C01 | H011 | H013 | 120.0° | 120.1° |
C02 | C01 | H012 | H013 | 120.0° | 120.0° |
C01 | C02 | C03 | H031 | 42.8° | 0.1° |
C01 | C02 | C06 | H061 | 101.6° | 146.6° |
O11 | C10 | C09 | C08 | 179.9° | 179.9° |
O11 | C10 | C09 | H091 | 0.0° | 0.0° |
O11 | C10 | N12 | H121 | 0.2° | 0.0° |
C10 | C09 | C08 | N07 | 0.2° | 0.3° |
C10 | C09 | C08 | H091 | 180.0° | 179.9° |
C10 | C09 | C08 | H081 | 179.8° | 180.0° |
C09 | C10 | N12 | H121 | 179.9° | 180.0° |
F18 | C02 | C06 | C03 | 116.9° | 118.8° |
F18 | C02 | C06 | N07 | 146.5° | 98.5° |
F18 | C02 | C06 | O05 | 94.1° | 142.8° |
F18 | C02 | C03 | O17 | 38.5° | 0.1° |
F18 | C02 | C03 | C04 | 80.2° | 118.7° |
F18 | C02 | C01 | H011 | 180.0° | 177.7° |
F18 | C02 | C01 | H012 | 60.0° | 62.4° |
F18 | C02 | C01 | H013 | 60.0° | 57.6° |
F18 | C02 | C03 | H031 | 163.0° | 122.5° |
F18 | C02 | C06 | H061 | 21.8° | 24.0° |
C02 | C06 | N07 | O05 | 115.5° | 115.3° |
C02 | C06 | N07 | H061 | 122.7° | 122.4° |
C02 | C06 | N07 | C08 | 94.9° | 94.7° |
C02 | C06 | O05 | H061 | 115.6° | 118.8° |
C06 | C02 | C03 | O17 | 155.9° | 118.6° |
C06 | C02 | C03 | C04 | 37.2° | 0.0° |
C02 | C06 | O05 | C04 | 7.9° | 40.5° |
C06 | C02 | C01 | H011 | 56.4° | 55.1° |
C06 | C02 | C01 | H012 | 176.4° | 175.0° |
C06 | C02 | C01 | H013 | 63.6° | 65.0° |
C06 | C02 | C03 | H031 | 79.6° | 118.8° |
C03 | C02 | C06 | N07 | 96.6° | 142.8° |
C03 | C02 | C06 | O05 | 22.7° | 24.0° |
C02 | C03 | O17 | C04 | 114.4° | 114.6° |
C02 | C03 | O17 | H031 | 126.9° | 122.6° |
C02 | C03 | C04 | H031 | 121.1° | 118.7° |
C02 | C03 | C04 | O05 | 45.9° | 24.0° |
C02 | C03 | C04 | C15 | 165.9° | 142.8° |
C03 | C02 | C01 | H011 | 59.9° | 59.6° |
C03 | C02 | C01 | H012 | 60.1° | 60.3° |
C03 | C02 | C01 | H013 | 179.9° | 179.7° |
C02 | C03 | C04 | H041 | 75.4° | 94.9° |
C03 | C02 | C06 | H061 | 138.7° | 94.8° |
C02 | C03 | O17 | H171 | 180.0° | 180.0° |
N07 | C06 | O05 | H061 | 123.5° | 122.4° |
C06 | N07 | C08 | C09 | 180.0° | 179.7° |
N07 | C06 | O05 | C04 | 128.9° | 159.4° |
C06 | N07 | C08 | H081 | 0.0° | 0.0° |
C08 | N07 | C06 | O05 | 20.6° | 20.7° |
N07 | C08 | C09 | H081 | 180.0° | 179.7° |
C08 | N07 | C06 | H061 | 142.4° | 142.9° |
N07 | C08 | C09 | H091 | 179.8° | 179.8° |
C06 | O05 | C04 | C03 | 27.6° | 40.5° |
C06 | O05 | C04 | C15 | 145.1° | 159.3° |
C06 | O05 | C04 | H041 | 89.7° | 78.4° |
O17 | C03 | C04 | H031 | 120.0° | 122.6° |
O17 | C03 | C04 | O05 | 164.7° | 142.7° |
O17 | C03 | C04 | C15 | 75.2° | 98.5° |
O17 | C03 | C04 | H041 | 43.5° | 23.7° |
C03 | C04 | O05 | C15 | 117.4° | 118.8° |
C03 | C04 | O05 | H041 | 117.3° | 118.9° |
C03 | C04 | C15 | H041 | 117.6° | 122.3° |
C03 | C04 | C15 | O16 | 72.8° | 175.0° |
C03 | C04 | C15 | H152 | 167.3° | 55.0° |
C03 | C04 | C15 | H151 | 47.1° | 65.0° |
C04 | C03 | O17 | H171 | 65.6° | 65.3° |
O05 | C04 | C15 | H041 | 127.4° | 122.4° |
O05 | C04 | C15 | O16 | 42.1° | 69.7° |
O05 | C04 | C03 | H031 | 75.3° | 94.7° |
C04 | O05 | C06 | H061 | 107.7° | 78.3° |
O05 | C04 | C15 | H152 | 77.8° | 170.3° |
O05 | C04 | C15 | H151 | 162.1° | 50.4° |
C04 | C15 | O16 | H152 | 119.9° | 120.0° |
C04 | C15 | O16 | H151 | 119.9° | 120.0° |
C15 | C04 | C03 | H031 | 44.8° | 24.1° |
C04 | C15 | H152 | H151 | 120.3° | 120.0° |
C04 | C15 | O16 | H161 | 180.0° | 179.9° |
O16 | C15 | C04 | H041 | 169.5° | 52.7° |
O16 | C15 | H152 | H151 | 120.2° | 120.0° |
H011 | C01 | H012 | H013 | 120.0° | 120.0° |
H031 | C03 | C04 | H041 | 163.5° | 146.3° |
H031 | C03 | O17 | H171 | 53.1° | 57.4° |
H041 | C04 | C15 | H152 | 49.6° | 67.3° |
H041 | C04 | C15 | H151 | 70.5° | 172.7° |
H081 | C08 | C09 | H091 | 0.2° | 0.1° |
H152 | C15 | O16 | H161 | 60.1° | 60.1° |
H151 | C15 | O16 | H161 | 60.0° | 59.9° |