U56
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | doub | 1.22Å | 1.18Å | |
N03 | C02 | sing | 1.33Å | 1.48Å | |
N03 | C04 | doub | 1.33Å | 1.45Å | |
C02 | N09 | sing | 1.35Å | 1.49Å | |
N05 | C04 | sing | 1.38Å | 1.42Å | |
N05 | O06 | sing | 1.42Å | 1.40Å | |
O18 | C17 | sing | 1.43Å | 1.48Å | |
C04 | C07 | sing | 1.41Å | 1.48Å | |
N09 | C10 | sing | 1.47Å | 1.43Å | |
N09 | C08 | sing | 1.36Å | 1.45Å | |
C17 | C10 | sing | 1.54Å | 1.64Å | |
C17 | C15 | sing | 1.54Å | 1.25Å | |
C10 | O11 | sing | 1.44Å | 1.29Å | |
C07 | C08 | doub | 1.35Å | 1.49Å | |
O16 | C15 | sing | 1.43Å | 1.51Å | |
C15 | C12 | sing | 1.55Å | 1.57Å | |
O11 | C12 | sing | 1.44Å | 1.51Å | |
C12 | C13 | sing | 1.53Å | 1.41Å | |
C13 | O14 | sing | 1.43Å | 1.39Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.08Å | 1.08Å | |
C08 | H081 | sing | 1.08Å | 1.08Å | |
C12 | H121 | 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 | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
N05 | H051 | sing | 0.97Å | 1.00Å | |
O06 | H061 | sing | 0.97Å | 0.95Å | |
O14 | H141 | sing | 0.97Å | 0.95Å | |
O16 | H161 | sing | 0.97Å | 0.95Å | |
O18 | H181 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | N03 | 119.8° | 119.5° |
O01 | C02 | N09 | 120.0° | 119.5° |
C02 | N03 | C04 | 120.0° | 120.7° |
N03 | C02 | N09 | 120.3° | 121.1° |
N03 | C04 | N05 | 120.4° | 120.2° |
N03 | C04 | C07 | 119.8° | 119.6° |
C02 | N09 | C10 | 120.5° | 119.8° |
C02 | N09 | C08 | 119.8° | 120.4° |
C04 | N05 | O06 | 119.5° | 120.0° |
N05 | C04 | C07 | 119.8° | 120.2° |
C04 | N05 | H051 | 120.3° | 120.0° |
O06 | N05 | H051 | 120.3° | 120.0° |
N05 | O06 | H061 | 109.5° | 114.0° |
O18 | C17 | C10 | 109.7° | 110.5° |
O18 | C17 | C15 | 109.9° | 110.5° |
O18 | C17 | H171 | 109.2° | 110.5° |
C17 | O18 | H181 | 109.5° | 114.0° |
C04 | C07 | C08 | 120.1° | 119.0° |
C04 | C07 | H071 | 120.0° | 120.5° |
C10 | N09 | C08 | 119.6° | 119.8° |
N09 | C10 | C17 | 109.3° | 110.5° |
N09 | C10 | O11 | 109.5° | 110.4° |
N09 | C10 | H101 | 110.0° | 110.3° |
N09 | C08 | C07 | 120.0° | 119.3° |
N09 | C08 | H081 | 120.0° | 120.4° |
C10 | C17 | C15 | 107.7° | 104.1° |
C17 | C10 | O11 | 108.1° | 104.8° |
C17 | C10 | H101 | 107.4° | 110.4° |
C10 | C17 | H171 | 107.3° | 110.5° |
C17 | C15 | O16 | 110.2° | 110.6° |
C17 | C15 | C12 | 105.5° | 104.0° |
C17 | C15 | H151 | 113.3° | 110.5° |
C15 | C17 | H171 | 113.0° | 110.5° |
C10 | O11 | C12 | 106.1° | 105.2° |
O11 | C10 | H101 | 112.4° | 110.4° |
C08 | C07 | H071 | 120.0° | 120.5° |
C07 | C08 | H081 | 120.0° | 120.4° |
O16 | C15 | C12 | 110.2° | 110.5° |
O16 | C15 | H151 | 109.1° | 110.5° |
C15 | O16 | H161 | 109.5° | 114.0° |
C15 | C12 | O11 | 104.3° | 104.8° |
C15 | C12 | C13 | 109.4° | 110.4° |
C15 | C12 | H121 | 109.5° | 110.3° |
C12 | C15 | H151 | 108.4° | 110.5° |
O11 | C12 | C13 | 111.2° | 110.4° |
O11 | C12 | H121 | 110.4° | 110.5° |
C12 | C13 | O14 | 108.4° | 109.5° |
C13 | C12 | H121 | 111.8° | 110.3° |
C12 | C13 | H131 | 109.7° | 109.5° |
C12 | C13 | H132 | 109.7° | 109.5° |
O14 | C13 | H131 | 109.8° | 109.5° |
O14 | C13 | H132 | 109.8° | 109.5° |
C13 | O14 | H141 | 109.5° | 114.1° |
H131 | C13 | H132 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | N03 | N09 | 179.9° | 179.6° |
O01 | C02 | N03 | C04 | 180.0° | 179.7° |
O01 | C02 | N09 | C10 | 0.1° | 0.4° |
O01 | C02 | N09 | C08 | 180.0° | 179.7° |
C02 | N03 | C04 | N05 | 180.0° | 180.0° |
C02 | N03 | C04 | C07 | 0.1° | 0.0° |
N03 | C02 | N09 | C10 | 180.0° | 180.0° |
N03 | C02 | N09 | C08 | 0.1° | 0.1° |
C04 | N03 | C02 | N09 | 0.0° | 0.0° |
N03 | C04 | N05 | C07 | 179.9° | 179.9° |
N03 | C04 | N05 | O06 | 180.0° | 0.1° |
N03 | C04 | C07 | C08 | 0.1° | 0.0° |
N03 | C04 | C07 | H071 | 179.9° | 180.0° |
N03 | C04 | N05 | H051 | 0.0° | 180.0° |
C02 | N09 | C10 | C08 | 179.9° | 179.9° |
C02 | N09 | C10 | C17 | 80.3° | 61.9° |
C02 | N09 | C10 | O11 | 161.4° | 53.5° |
C02 | N09 | C08 | C07 | 0.0° | 0.1° |
C02 | N09 | C10 | H101 | 37.4° | 175.7° |
C02 | N09 | C08 | H081 | 180.0° | 180.0° |
C04 | N05 | O06 | H051 | 180.0° | 180.0° |
N05 | C04 | C07 | C08 | 179.9° | 180.0° |
N05 | C04 | C07 | H071 | 0.1° | 0.1° |
C04 | N05 | O06 | H061 | 180.0° | 180.0° |
O06 | N05 | C04 | C07 | 0.0° | 180.0° |
O18 | C17 | C10 | N09 | 127.6° | 98.5° |
O18 | C17 | C10 | C15 | 119.6° | 118.7° |
O18 | C17 | C10 | H171 | 118.5° | 122.7° |
O18 | C17 | C15 | H171 | 122.3° | 122.7° |
O18 | C17 | C10 | O11 | 113.2° | 142.6° |
O18 | C17 | C15 | O16 | 21.0° | 0.0° |
O18 | C17 | C15 | C12 | 97.9° | 118.6° |
O18 | C17 | C10 | H101 | 8.2° | 23.8° |
O18 | C17 | C15 | H151 | 143.6° | 122.7° |
C04 | C07 | C08 | N09 | 0.1° | 0.0° |
C04 | C07 | C08 | H071 | 180.0° | 180.0° |
C04 | C07 | C08 | H081 | 179.9° | 180.0° |
C07 | C04 | N05 | H051 | 180.0° | 0.0° |
N09 | C10 | C17 | O11 | 119.1° | 118.9° |
N09 | C10 | C17 | H101 | 119.4° | 122.3° |
N09 | C10 | C17 | C15 | 112.8° | 142.8° |
N09 | C10 | O11 | H101 | 122.6° | 122.2° |
C10 | N09 | C08 | C07 | 179.9° | 180.0° |
N09 | C10 | O11 | C12 | 132.1° | 159.5° |
C10 | N09 | C08 | H081 | 0.1° | 0.1° |
N09 | C10 | C17 | H171 | 9.1° | 24.2° |
C08 | N09 | C10 | C17 | 99.5° | 118.1° |
C08 | N09 | C10 | O11 | 18.7° | 126.4° |
N09 | C08 | C07 | H081 | 180.0° | 179.9° |
C08 | N09 | C10 | H101 | 142.7° | 4.2° |
N09 | C08 | C07 | H071 | 179.9° | 179.9° |
C10 | C17 | C15 | H171 | 118.3° | 118.7° |
C17 | C10 | O11 | H101 | 118.4° | 118.9° |
C10 | C17 | C15 | O16 | 140.4° | 118.7° |
C10 | C17 | C15 | C12 | 21.5° | 0.0° |
C17 | C10 | O11 | C12 | 13.1° | 40.5° |
C10 | C17 | C15 | H151 | 96.9° | 118.7° |
C10 | C17 | O18 | H181 | 180.0° | 180.0° |
C15 | C17 | C10 | O11 | 6.3° | 24.0° |
C17 | C15 | O16 | C12 | 116.0° | 114.7° |
C17 | C15 | O16 | H151 | 125.1° | 122.7° |
C17 | C15 | C12 | H151 | 121.7° | 118.7° |
C17 | C15 | C12 | O11 | 29.8° | 24.0° |
C17 | C15 | C12 | C13 | 148.8° | 142.8° |
C15 | C17 | C10 | H101 | 127.8° | 94.9° |
C17 | C15 | C12 | H121 | 88.4° | 95.0° |
C17 | C15 | O16 | H161 | 180.0° | 176.2° |
C15 | C17 | O18 | H181 | 61.8° | 65.3° |
C10 | O11 | C12 | C15 | 25.3° | 40.5° |
C10 | O11 | C12 | C13 | 143.0° | 159.3° |
C10 | O11 | C12 | H121 | 92.3° | 78.3° |
O11 | C10 | C17 | H171 | 128.2° | 94.7° |
O16 | C15 | C12 | H151 | 119.4° | 122.6° |
O16 | C15 | C12 | O11 | 148.7° | 142.7° |
O16 | C15 | C12 | C13 | 92.3° | 98.4° |
O16 | C15 | C12 | H121 | 30.6° | 23.8° |
O16 | C15 | C17 | H171 | 101.3° | 122.7° |
C15 | C12 | O11 | C13 | 117.7° | 118.8° |
C15 | C12 | O11 | H121 | 117.6° | 118.9° |
C15 | C12 | C13 | H121 | 121.5° | 122.2° |
C15 | C12 | C13 | O14 | 63.5° | 176.5° |
C15 | C12 | C13 | H131 | 176.7° | 56.5° |
C15 | C12 | C13 | H132 | 56.3° | 63.5° |
C12 | C15 | C17 | H171 | 139.8° | 118.7° |
C12 | C15 | O16 | H161 | 64.0° | 61.5° |
O11 | C12 | C13 | H121 | 123.9° | 122.4° |
O11 | C12 | C13 | O14 | 51.1° | 68.1° |
C12 | O11 | C10 | H101 | 105.2° | 78.3° |
O11 | C12 | C13 | H131 | 68.7° | 171.9° |
O11 | C12 | C13 | H132 | 170.9° | 51.9° |
O11 | C12 | C15 | H151 | 91.9° | 94.7° |
C12 | C13 | O14 | H131 | 119.8° | 120.0° |
C12 | C13 | O14 | H132 | 119.8° | 120.0° |
C12 | C13 | H131 | H132 | 120.5° | 120.0° |
C13 | C12 | C15 | H151 | 27.1° | 24.2° |
C12 | C13 | O14 | H141 | 180.0° | 180.0° |
O14 | C13 | C12 | H121 | 175.0° | 54.3° |
O14 | C13 | H131 | H132 | 120.5° | 120.0° |
H101 | C10 | C17 | H171 | 110.3° | 146.5° |
H071 | C07 | C08 | H081 | 0.1° | 0.0° |
H121 | C12 | C13 | H131 | 55.1° | 65.7° |
H121 | C12 | C13 | H132 | 65.2° | 174.4° |
H121 | C12 | C15 | H151 | 150.0° | 146.4° |
H131 | C13 | O14 | H141 | 60.2° | 60.0° |
H132 | C13 | O14 | H141 | 60.1° | 59.9° |
H151 | C15 | C17 | H171 | 21.3° | 0.0° |
H151 | C15 | O16 | H161 | 54.9° | 61.1° |
H171 | C17 | O18 | H181 | 62.7° | 57.3° |
H051 | N05 | O06 | H061 | 0.0° | 0.0° |