W92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C13 | sing | 1.51Å | 0.00Å | |
| C10 | N06 | sing | 1.47Å | 0.00Å | |
| C10 | C07 | sing | 1.55Å | 0.00Å | |
| C10 | C11 | sing | 1.55Å | 0.00Å | |
| C13 | O04 | doub | 1.21Å | 0.00Å | |
| C13 | O05 | sing | 1.34Å | 0.00Å | |
| O01 | C08 | sing | 1.44Å | 0.00Å | |
| O01 | C11 | sing | 1.45Å | 0.00Å | |
| O02 | C12 | doub | 1.21Å | 0.00Å | |
| O03 | C12 | sing | 1.34Å | 0.00Å | |
| C07 | C08 | sing | 1.54Å | 0.00Å | |
| C07 | C09 | sing | 1.53Å | 0.00Å | |
| C08 | C09 | sing | 1.53Å | 0.00Å | |
| C09 | C12 | sing | 1.51Å | 0.00Å | |
| O03 | H1 | sing | 0.97Å | 0.00Å | |
| O05 | H2 | sing | 0.97Å | 0.00Å | |
| N06 | H3 | sing | 1.01Å | 0.00Å | |
| N06 | H4 | sing | 1.01Å | 0.00Å | |
| C07 | H6 | sing | 1.09Å | 0.00Å | |
| C08 | H7 | sing | 1.09Å | 0.00Å | |
| C11 | H8 | sing | 1.09Å | 0.00Å | |
| C11 | H9 | sing | 1.09Å | 0.00Å | |
| C09 | H5 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C10 | N06 | 90.0° | 110.8° |
| C13 | C10 | C07 | 90.0° | 110.8° |
| C13 | C10 | C11 | 90.0° | 110.9° |
| C10 | C13 | O04 | 90.0° | 120.0° |
| C10 | C13 | O05 | 90.0° | 120.0° |
| N06 | C10 | C07 | 90.0° | 110.9° |
| N06 | C10 | C11 | 90.0° | 110.9° |
| C10 | N06 | H3 | 90.0° | 111.0° |
| C10 | N06 | H4 | 90.0° | 111.0° |
| C07 | C10 | C11 | 90.0° | 102.3° |
| C10 | C07 | C08 | 90.0° | 104.1° |
| C10 | C07 | C09 | 90.0° | 118.2° |
| C10 | C07 | H6 | 90.0° | 117.8° |
| C10 | C11 | O01 | 90.0° | 103.4° |
| C10 | C11 | H8 | 90.0° | 110.6° |
| C10 | C11 | H9 | 90.0° | 110.6° |
| O04 | C13 | O05 | 90.0° | 120.0° |
| C13 | O05 | H2 | 90.0° | 117.0° |
| C08 | O01 | C11 | 90.0° | 107.1° |
| O01 | C08 | C07 | 90.0° | 107.4° |
| O01 | C08 | C09 | 90.0° | 118.0° |
| O01 | C08 | H7 | 90.0° | 117.3° |
| O01 | C11 | H8 | 90.0° | 110.6° |
| O01 | C11 | H9 | 90.0° | 110.8° |
| O02 | C12 | O03 | 90.0° | 120.0° |
| O02 | C12 | C09 | 90.0° | 120.0° |
| O03 | C12 | C09 | 90.0° | 120.0° |
| C12 | O03 | H1 | 90.0° | 117.0° |
| C08 | C07 | C09 | 90.0° | 59.8° |
| C07 | C08 | C09 | 90.0° | 59.7° |
| C08 | C07 | H6 | 90.0° | 122.2° |
| C07 | C08 | H7 | 90.0° | 120.9° |
| C07 | C09 | C08 | 90.0° | 60.5° |
| C07 | C09 | C12 | 90.0° | 117.5° |
| C09 | C07 | H6 | 90.0° | 120.2° |
| C07 | C09 | H5 | 90.0° | 117.4° |
| C08 | C09 | C12 | 90.0° | 117.4° |
| C09 | C08 | H7 | 90.0° | 119.9° |
| C08 | C09 | H5 | 90.0° | 117.4° |
| C12 | C09 | H5 | 90.0° | 115.5° |
| H3 | N06 | H4 | 90.0° | 111.0° |
| H8 | C11 | H9 | 90.0° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C10 | N06 | C07 | 90.0° | 123.5° |
| C13 | C10 | N06 | C11 | 90.0° | 123.5° |
| C13 | C10 | C07 | C11 | 90.0° | 118.2° |
| C10 | C13 | O04 | O05 | 90.0° | 180.0° |
| C13 | C10 | C11 | O01 | 90.0° | 155.1° |
| C13 | C10 | C07 | C08 | 90.0° | 139.2° |
| C13 | C10 | C07 | C09 | 90.0° | 157.7° |
| C10 | C13 | O05 | H2 | 90.0° | 179.9° |
| C13 | C10 | N06 | H3 | 90.0° | 59.3° |
| C13 | C10 | N06 | H4 | 90.0° | 64.6° |
| C13 | C10 | C07 | H6 | 90.0° | 0.2° |
| C13 | C10 | C11 | H8 | 90.0° | 36.7° |
| C13 | C10 | C11 | H9 | 90.0° | 86.3° |
| N06 | C10 | C07 | C11 | 90.0° | 118.3° |
| N06 | C10 | C13 | O04 | 90.0° | 145.7° |
| N06 | C10 | C13 | O05 | 90.0° | 34.3° |
| N06 | C10 | C11 | O01 | 90.0° | 81.4° |
| N06 | C10 | C07 | C08 | 90.0° | 97.3° |
| N06 | C10 | C07 | C09 | 90.0° | 34.2° |
| C10 | N06 | H3 | H4 | 90.0° | 123.9° |
| N06 | C10 | C07 | H6 | 90.0° | 123.7° |
| N06 | C10 | C11 | H8 | 90.0° | 160.2° |
| N06 | C10 | C11 | H9 | 90.0° | 37.3° |
| C07 | C10 | C13 | O04 | 90.0° | 22.2° |
| C07 | C10 | C13 | O05 | 90.0° | 157.8° |
| C10 | C07 | C08 | O01 | 90.0° | 1.8° |
| C07 | C10 | C11 | O01 | 90.0° | 36.9° |
| C10 | C07 | C08 | C09 | 90.0° | 114.6° |
| C10 | C07 | C08 | H6 | 90.0° | 136.6° |
| C10 | C07 | C09 | H6 | 90.0° | 157.4° |
| C10 | C07 | C09 | C12 | 90.0° | 161.9° |
| C07 | C10 | N06 | H3 | 90.0° | 177.2° |
| C07 | C10 | N06 | H4 | 90.0° | 58.9° |
| C10 | C07 | C08 | H7 | 90.0° | 136.5° |
| C07 | C10 | C11 | H8 | 90.0° | 81.5° |
| C07 | C10 | C11 | H9 | 90.0° | 155.5° |
| C10 | C07 | C09 | H5 | 90.0° | 17.1° |
| C11 | C10 | C13 | O04 | 90.0° | 90.7° |
| C11 | C10 | C13 | O05 | 90.0° | 89.3° |
| C10 | C11 | O01 | C08 | 90.0° | 39.7° |
| C10 | C11 | O01 | H8 | 90.0° | 118.4° |
| C10 | C11 | O01 | H9 | 90.0° | 118.5° |
| C11 | C10 | C07 | C08 | 90.0° | 21.0° |
| C11 | C10 | C07 | C09 | 90.0° | 84.0° |
| C11 | C10 | N06 | H3 | 90.0° | 64.2° |
| C11 | C10 | N06 | H4 | 90.0° | 171.8° |
| C11 | C10 | C07 | H6 | 90.0° | 118.0° |
| C10 | C11 | H8 | H9 | 90.0° | 122.9° |
| O04 | C13 | O05 | H2 | 90.0° | 0.1° |
| O01 | C08 | C07 | C09 | 90.0° | 112.8° |
| O01 | C08 | C07 | H7 | 90.0° | 138.3° |
| O01 | C08 | C09 | H7 | 90.0° | 154.9° |
| O01 | C08 | C09 | C12 | 90.0° | 157.7° |
| O01 | C08 | C07 | H6 | 90.0° | 138.5° |
| C08 | O01 | C11 | H8 | 90.0° | 78.7° |
| C08 | O01 | C11 | H9 | 90.0° | 158.2° |
| O01 | C08 | C09 | H5 | 90.0° | 13.0° |
| C11 | O01 | C08 | C07 | 90.0° | 26.2° |
| C11 | O01 | C08 | C09 | 90.0° | 90.6° |
| C11 | O01 | C08 | H7 | 90.0° | 113.8° |
| O01 | C11 | H8 | H9 | 90.0° | 123.2° |
| O02 | C12 | O03 | C09 | 90.0° | 179.9° |
| O02 | C12 | C09 | C07 | 90.0° | 0.1° |
| O02 | C12 | C09 | C08 | 90.0° | 69.2° |
| O02 | C12 | O03 | H1 | 90.0° | 0.1° |
| O02 | C12 | C09 | H5 | 90.0° | 145.4° |
| O03 | C12 | C09 | C07 | 90.0° | 180.0° |
| O03 | C12 | C09 | C08 | 90.0° | 110.9° |
| O03 | C12 | C09 | H5 | 90.0° | 34.5° |
| C08 | C07 | C09 | H6 | 90.0° | 112.1° |
| C07 | C08 | C09 | H7 | 90.0° | 110.5° |
| C08 | C07 | C09 | C12 | 90.0° | 107.6° |
| C08 | C07 | C09 | H5 | 90.0° | 107.6° |
| C07 | C09 | C12 | H5 | 90.0° | 145.5° |
| C08 | C09 | C12 | H5 | 90.0° | 145.4° |
| C09 | C12 | O03 | H1 | 90.0° | 180.0° |
| C12 | C09 | C07 | H6 | 90.0° | 4.5° |
| C12 | C09 | C08 | H7 | 90.0° | 2.8° |
| H6 | C07 | C08 | H7 | 90.0° | 0.2° |
| H6 | C07 | C09 | H5 | 90.0° | 140.4° |
| H7 | C08 | C09 | H5 | 90.0° | 141.9° |
