W51
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C09 | sing | 1.53Å | 1.57Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C09 | C10 | sing | 1.53Å | 1.50Å | |
| C09 | C08 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | N07 | sing | 1.47Å | 1.46Å | |
| C08 | N07 | sing | 1.47Å | 1.44Å | |
| N07 | C06 | sing | 1.39Å | 1.44Å | |
| CL16 | C15 | sing | 1.74Å | 1.78Å | |
| C06 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| C06 | N05 | sing | 1.33Å | 1.33Å | Aromatic |
| C15 | C02 | sing | 1.39Å | 1.36Å | Aromatic |
| N05 | C04 | doub | 1.32Å | 1.25Å | Aromatic |
| C02 | N01 | sing | 1.39Å | 1.39Å | |
| C02 | N03 | doub | 1.33Å | 1.31Å | Aromatic |
| C04 | N03 | sing | 1.32Å | 1.28Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C09 | 114.1° | 108.9° |
| C14 | C13 | C12 | 104.4° | 109.1° |
| C14 | C13 | H132 | 110.7° | 109.6° |
| C14 | C13 | H131 | 110.7° | 109.6° |
| C13 | C14 | H142 | 108.3° | 109.6° |
| C13 | C14 | H141 | 108.3° | 109.6° |
| C14 | C09 | C10 | 116.0° | 109.1° |
| C14 | C09 | C08 | 95.8° | 109.0° |
| C14 | C09 | H091 | 112.5° | 110.2° |
| C09 | C14 | H142 | 108.3° | 109.5° |
| C09 | C14 | H141 | 108.3° | 109.7° |
| C13 | C12 | C11 | 110.7° | 109.5° |
| C13 | C12 | N07 | 89.7° | 109.6° |
| C12 | C13 | H132 | 110.7° | 109.5° |
| C12 | C13 | H131 | 110.7° | 109.5° |
| C13 | C12 | H121 | 112.6° | 109.4° |
| C10 | C09 | C08 | 103.6° | 109.1° |
| C09 | C10 | C11 | 103.9° | 109.0° |
| C09 | C10 | H102 | 110.8° | 109.5° |
| C09 | C10 | H101 | 110.9° | 109.6° |
| C10 | C09 | H091 | 113.7° | 109.7° |
| C09 | C08 | N07 | 113.2° | 109.8° |
| C09 | C08 | H081 | 108.5° | 109.5° |
| C09 | C08 | H082 | 108.5° | 109.3° |
| C08 | C09 | H091 | 113.5° | 109.7° |
| C10 | C11 | C12 | 113.0° | 109.2° |
| C11 | C10 | H102 | 110.8° | 109.6° |
| C11 | C10 | H101 | 110.8° | 109.6° |
| C10 | C11 | H112 | 108.6° | 109.5° |
| C10 | C11 | H111 | 108.6° | 109.5° |
| C11 | C12 | N07 | 114.6° | 109.7° |
| C12 | C11 | H112 | 108.6° | 109.6° |
| C12 | C11 | H111 | 108.6° | 109.5° |
| C11 | C12 | H121 | 113.0° | 109.4° |
| C12 | N07 | C08 | 114.3° | 111.7° |
| C12 | N07 | C06 | 125.7° | 110.9° |
| N07 | C12 | H121 | 114.0° | 109.3° |
| C08 | N07 | C06 | 114.3° | 111.0° |
| N07 | C08 | H081 | 108.5° | 109.5° |
| N07 | C08 | H082 | 108.6° | 109.4° |
| N07 | C06 | C15 | 124.7° | 120.5° |
| N07 | C06 | N05 | 118.0° | 120.5° |
| CL16 | C15 | C06 | 122.3° | 120.9° |
| CL16 | C15 | C02 | 120.2° | 120.8° |
| C15 | C06 | N05 | 117.3° | 119.0° |
| C06 | C15 | C02 | 117.4° | 118.3° |
| C06 | N05 | C04 | 122.3° | 120.9° |
| C15 | C02 | N01 | 119.6° | 120.5° |
| C15 | C02 | N03 | 121.0° | 119.0° |
| N05 | C04 | N03 | 122.7° | 121.9° |
| N05 | C04 | H041 | 118.7° | 119.0° |
| N01 | C02 | N03 | 119.4° | 120.5° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.4° | 120.0° |
| C02 | N03 | C04 | 119.0° | 120.9° |
| N03 | C04 | H041 | 118.6° | 119.0° |
| H102 | C10 | H101 | 109.5° | 109.6° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.6° |
| H142 | C14 | H141 | 109.5° | 109.6° |
| H012 | N01 | H011 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C09 | H142 | 120.7° | 119.8° |
| C13 | C14 | C09 | H141 | 120.7° | 119.9° |
| C14 | C13 | C12 | H132 | 119.2° | 120.0° |
| C14 | C13 | C12 | H131 | 119.2° | 120.0° |
| C13 | C14 | C09 | C10 | 63.5° | 61.1° |
| C13 | C14 | C09 | C08 | 44.8° | 58.0° |
| C14 | C13 | C12 | C11 | 37.2° | 60.7° |
| C14 | C13 | C12 | N07 | 79.1° | 59.6° |
| C14 | C13 | H132 | H131 | 122.3° | 120.3° |
| C13 | C14 | C09 | H091 | 163.2° | 178.5° |
| C14 | C13 | C12 | H121 | 164.8° | 179.4° |
| C13 | C14 | H142 | H141 | 117.9° | 120.3° |
| C09 | C14 | C13 | C12 | 24.1° | 0.0° |
| C14 | C09 | C10 | C08 | 103.6° | 119.0° |
| C14 | C09 | C10 | H091 | 132.8° | 120.8° |
| C14 | C09 | C08 | H091 | 117.7° | 120.8° |
| C14 | C09 | C10 | C11 | 26.3° | 61.6° |
| C14 | C09 | C08 | N07 | 61.6° | 59.4° |
| C14 | C09 | C10 | H102 | 92.7° | 58.2° |
| C14 | C09 | C10 | H101 | 145.5° | 178.5° |
| C09 | C14 | C13 | H132 | 95.1° | 119.9° |
| C09 | C14 | C13 | H131 | 143.3° | 119.9° |
| C14 | C09 | C08 | H081 | 177.8° | 179.6° |
| C14 | C09 | C08 | H082 | 58.9° | 60.6° |
| C09 | C14 | H142 | H141 | 117.8° | 120.4° |
| C13 | C12 | C11 | C10 | 78.0° | 60.2° |
| C13 | C12 | C11 | N07 | 99.7° | 120.3° |
| C13 | C12 | C11 | H121 | 127.4° | 119.9° |
| C13 | C12 | N07 | H121 | 114.8° | 119.9° |
| C13 | C12 | N07 | C08 | 67.9° | 60.4° |
| C13 | C12 | N07 | C06 | 140.3° | 175.3° |
| C12 | C13 | H132 | H131 | 122.4° | 120.0° |
| C13 | C12 | C11 | H112 | 42.5° | 59.7° |
| C13 | C12 | C11 | H111 | 161.5° | 180.0° |
| C12 | C13 | C14 | H142 | 96.6° | 119.7° |
| C12 | C13 | C14 | H141 | 144.8° | 120.0° |
| C10 | C09 | C08 | H091 | 123.8° | 120.1° |
| C09 | C10 | C11 | H102 | 119.1° | 119.8° |
| C09 | C10 | C11 | H101 | 119.1° | 119.9° |
| C09 | C10 | C11 | C12 | 37.9° | 0.8° |
| C10 | C09 | C08 | N07 | 56.9° | 59.7° |
| C09 | C10 | H102 | H101 | 122.6° | 120.2° |
| C10 | C09 | C08 | H081 | 63.6° | 60.5° |
| C10 | C09 | C08 | H082 | 177.5° | 179.7° |
| C09 | C10 | C11 | H112 | 82.6° | 120.8° |
| C09 | C10 | C11 | H111 | 158.5° | 119.0° |
| C10 | C09 | C14 | H142 | 57.2° | 58.7° |
| C10 | C09 | C14 | H141 | 175.9° | 179.1° |
| C08 | C09 | C10 | C11 | 77.2° | 57.4° |
| C09 | C08 | N07 | C12 | 4.3° | 0.4° |
| C09 | C08 | N07 | H081 | 120.5° | 120.2° |
| C09 | C08 | N07 | H082 | 120.5° | 120.0° |
| C09 | C08 | N07 | C06 | 150.8° | 124.7° |
| C08 | C09 | C10 | H102 | 163.7° | 177.3° |
| C08 | C09 | C10 | H101 | 41.9° | 62.4° |
| C09 | C08 | H081 | H082 | 118.3° | 119.8° |
| C08 | C09 | C14 | H142 | 165.5° | 177.8° |
| C08 | C09 | C14 | H141 | 75.9° | 61.9° |
| C10 | C11 | C12 | H112 | 120.5° | 119.9° |
| C10 | C11 | C12 | H111 | 120.5° | 119.8° |
| C10 | C11 | C12 | N07 | 21.7° | 60.1° |
| C11 | C10 | H102 | H101 | 122.6° | 120.3° |
| C11 | C10 | C09 | H091 | 159.2° | 177.6° |
| C10 | C11 | H112 | H111 | 118.4° | 120.1° |
| C10 | C11 | C12 | H121 | 154.6° | 179.9° |
| C11 | C12 | N07 | H121 | 132.4° | 119.9° |
| C11 | C12 | N07 | C08 | 44.8° | 59.8° |
| C11 | C12 | N07 | C06 | 107.0° | 64.5° |
| C12 | C11 | C10 | H102 | 157.0° | 119.0° |
| C12 | C11 | C10 | H101 | 81.2° | 120.7° |
| C11 | C12 | C13 | H132 | 156.4° | 59.3° |
| C11 | C12 | C13 | H131 | 82.0° | 179.3° |
| C12 | C11 | H112 | H111 | 118.4° | 120.2° |
| C12 | N07 | C08 | C06 | 155.1° | 124.3° |
| C12 | N07 | C06 | C15 | 12.6° | 179.2° |
| C12 | N07 | C06 | N05 | 168.9° | 0.8° |
| N07 | C12 | C13 | H132 | 40.1° | 179.6° |
| N07 | C12 | C13 | H131 | 161.7° | 60.3° |
| C12 | N07 | C08 | H081 | 124.9° | 119.8° |
| C12 | N07 | C08 | H082 | 116.2° | 120.3° |
| N07 | C12 | C11 | H112 | 142.2° | 180.0° |
| N07 | C12 | C11 | H111 | 98.8° | 59.8° |
| C08 | N07 | C06 | C15 | 164.4° | 56.1° |
| C08 | N07 | C06 | N05 | 17.1° | 124.0° |
| N07 | C08 | H081 | H082 | 118.3° | 119.8° |
| N07 | C08 | C09 | H091 | 179.3° | 179.8° |
| C08 | N07 | C12 | H121 | 177.3° | 179.7° |
| N07 | C06 | C15 | CL16 | 4.2° | 0.2° |
| N07 | C06 | C15 | N05 | 178.5° | 179.9° |
| N07 | C06 | C15 | C02 | 178.3° | 180.0° |
| N07 | C06 | N05 | C04 | 177.3° | 180.0° |
| C06 | N07 | C08 | H081 | 30.3° | 4.5° |
| C06 | N07 | C08 | H082 | 88.6° | 115.3° |
| C06 | N07 | C12 | H121 | 25.5° | 55.4° |
| CL16 | C15 | C06 | C02 | 177.5° | 179.8° |
| CL16 | C15 | C06 | N05 | 174.4° | 179.7° |
| CL16 | C15 | C02 | N01 | 2.7° | 0.2° |
| CL16 | C15 | C02 | N03 | 174.3° | 179.7° |
| C15 | C06 | N05 | C04 | 4.0° | 0.1° |
| C06 | C15 | C02 | N01 | 179.8° | 180.0° |
| C06 | C15 | C02 | N03 | 3.3° | 0.1° |
| N05 | C06 | C15 | C02 | 3.2° | 0.0° |
| C06 | N05 | C04 | N03 | 4.9° | 0.1° |
| C06 | N05 | C04 | H041 | 175.1° | 180.0° |
| C15 | C02 | N01 | N03 | 177.0° | 179.9° |
| C15 | C02 | N03 | C04 | 4.0° | 0.1° |
| C15 | C02 | N01 | H012 | 177.0° | 0.1° |
| C15 | C02 | N01 | H011 | 57.0° | 180.0° |
| N05 | C04 | N03 | C02 | 4.8° | 0.1° |
| N05 | C04 | N03 | H041 | 180.0° | 179.9° |
| N01 | C02 | N03 | C04 | 179.1° | 180.0° |
| C02 | N01 | H012 | H011 | 120.0° | 180.0° |
| C02 | N03 | C04 | H041 | 175.2° | 180.0° |
| N03 | C02 | N01 | H012 | 0.0° | 180.0° |
| N03 | C02 | N01 | H011 | 120.0° | 0.1° |
| H102 | C10 | C09 | H091 | 40.1° | 62.6° |
| H102 | C10 | C11 | H112 | 36.5° | 1.0° |
| H102 | C10 | C11 | H111 | 82.4° | 121.2° |
| H101 | C10 | C09 | H091 | 81.7° | 57.7° |
| H101 | C10 | C11 | H112 | 158.3° | 119.3° |
| H101 | C10 | C11 | H111 | 39.4° | 0.9° |
| H132 | C13 | C12 | H121 | 76.0° | 60.6° |
| H132 | C13 | C14 | H142 | 144.2° | 0.2° |
| H132 | C13 | C14 | H141 | 25.6° | 120.1° |
| H131 | C13 | C12 | H121 | 45.6° | 59.5° |
| H131 | C13 | C14 | H142 | 22.6° | 120.4° |
| H131 | C13 | C14 | H141 | 96.0° | 0.1° |
| H081 | C08 | C09 | H091 | 60.2° | 59.6° |
| H082 | C08 | C09 | H091 | 58.7° | 60.2° |
| H091 | C09 | C14 | H142 | 76.1° | 61.7° |
| H091 | C09 | C14 | H141 | 42.5° | 58.6° |
| H112 | C11 | C12 | H121 | 84.9° | 60.2° |
| H111 | C11 | C12 | H121 | 34.1° | 60.1° |
