WLY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.56Å | |
| C02 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| O15 | C14 | sing | 1.44Å | 1.26Å | |
| O15 | C11 | sing | 1.44Å | 1.61Å | |
| C14 | C13 | sing | 1.55Å | 1.53Å | |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C05 | doub | 1.38Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.55Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.54Å | 1.28Å | |
| C04 | C05 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.54Å | |
| C10 | N09 | sing | 1.46Å | 1.48Å | |
| N09 | C07 | sing | 1.35Å | 1.48Å | |
| C07 | C06 | sing | 1.51Å | 1.58Å | |
| C07 | O08 | doub | 1.21Å | 1.24Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| N09 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C17 | 120.6° | 120.0° |
| C01 | C02 | C03 | 119.5° | 120.0° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C17 | C02 | C03 | 119.9° | 120.0° |
| C02 | C17 | C16 | 120.3° | 120.0° |
| C02 | C17 | H5 | 119.8° | 119.9° |
| C02 | C03 | C04 | 119.7° | 120.0° |
| C02 | C03 | H9 | 120.2° | 120.0° |
| C17 | C16 | C05 | 119.5° | 120.0° |
| C16 | C17 | H5 | 119.8° | 120.1° |
| C17 | C16 | H18 | 120.3° | 120.0° |
| C14 | O15 | C11 | 106.9° | 107.0° |
| O15 | C14 | C13 | 105.6° | 103.5° |
| O15 | C14 | H16 | 110.5° | 110.6° |
| O15 | C14 | H17 | 110.4° | 110.7° |
| O15 | C11 | C10 | 108.7° | 109.9° |
| O15 | C11 | C12 | 106.6° | 107.3° |
| O15 | C11 | H13 | 107.5° | 110.0° |
| C14 | C13 | C12 | 102.5° | 102.1° |
| C14 | C13 | H3 | 111.2° | 110.9° |
| C14 | C13 | H4 | 111.2° | 110.9° |
| C13 | C14 | H16 | 110.4° | 110.6° |
| C13 | C14 | H17 | 110.5° | 110.6° |
| C03 | C04 | C05 | 119.9° | 120.0° |
| C04 | C03 | H9 | 120.2° | 120.0° |
| C03 | C04 | H10 | 120.0° | 120.0° |
| C16 | C05 | C04 | 120.6° | 120.0° |
| C16 | C05 | C06 | 119.0° | 120.0° |
| C05 | C16 | H18 | 120.3° | 120.0° |
| C13 | C12 | C11 | 102.0° | 104.2° |
| C12 | C13 | H3 | 111.2° | 110.9° |
| C12 | C13 | H4 | 111.2° | 110.9° |
| C13 | C12 | H14 | 111.3° | 110.5° |
| C13 | C12 | H15 | 111.3° | 110.5° |
| C10 | C11 | C12 | 113.2° | 109.9° |
| C11 | C10 | N09 | 109.6° | 109.5° |
| C11 | C10 | H1 | 109.4° | 109.5° |
| C11 | C10 | H2 | 109.4° | 109.5° |
| C10 | C11 | H13 | 108.4° | 109.9° |
| C12 | C11 | H13 | 112.2° | 109.8° |
| C11 | C12 | H14 | 111.3° | 110.5° |
| C11 | C12 | H15 | 111.3° | 110.4° |
| C04 | C05 | C06 | 120.4° | 120.0° |
| C05 | C04 | H10 | 120.0° | 120.0° |
| C05 | C06 | C07 | 113.1° | 109.5° |
| C05 | C06 | H11 | 108.6° | 109.5° |
| C05 | C06 | H12 | 108.6° | 109.4° |
| C10 | N09 | C07 | 120.1° | 120.0° |
| N09 | C10 | H1 | 109.5° | 109.5° |
| N09 | C10 | H2 | 109.4° | 109.5° |
| C10 | N09 | H19 | 119.9° | 120.0° |
| N09 | C07 | C06 | 121.9° | 120.0° |
| N09 | C07 | O08 | 119.0° | 120.0° |
| C07 | N09 | H19 | 119.9° | 120.0° |
| C06 | C07 | O08 | 119.1° | 120.0° |
| C07 | C06 | H11 | 108.5° | 109.5° |
| C07 | C06 | H12 | 108.6° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 110.8° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 110.6° |
| H16 | C14 | H17 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C17 | C03 | 179.9° | 180.0° |
| C01 | C02 | C17 | C16 | 179.8° | 180.0° |
| C01 | C02 | C03 | C04 | 180.0° | 180.0° |
| C01 | C02 | C17 | H5 | 0.1° | 0.3° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 0.1° | 0.0° |
| C02 | C17 | C16 | H5 | 180.0° | 179.7° |
| C17 | C02 | C03 | C04 | 0.0° | 0.1° |
| C02 | C17 | C16 | C05 | 0.2° | 0.0° |
| C17 | C02 | C01 | H6 | 90.0° | 90.0° |
| C17 | C02 | C01 | H7 | 150.0° | 150.0° |
| C17 | C02 | C01 | H8 | 30.0° | 30.0° |
| C17 | C02 | C03 | H9 | 180.0° | 180.0° |
| C02 | C17 | C16 | H18 | 179.9° | 179.7° |
| C03 | C02 | C17 | C16 | 0.2° | 0.0° |
| C02 | C03 | C04 | H9 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.6° | 0.1° |
| C03 | C02 | C17 | H5 | 179.8° | 179.7° |
| C03 | C02 | C01 | H6 | 90.0° | 90.0° |
| C03 | C02 | C01 | H7 | 30.1° | 30.1° |
| C03 | C02 | C01 | H8 | 150.0° | 150.0° |
| C02 | C03 | C04 | H10 | 179.4° | 180.0° |
| C17 | C16 | C05 | H18 | 180.0° | 179.7° |
| C17 | C16 | C05 | C04 | 0.8° | 0.0° |
| C17 | C16 | C05 | C06 | 178.7° | 180.0° |
| O15 | C14 | C13 | H16 | 119.4° | 118.5° |
| O15 | C14 | C13 | H17 | 119.4° | 118.6° |
| O15 | C14 | C13 | C12 | 31.3° | 37.0° |
| C14 | O15 | C11 | C10 | 137.8° | 145.9° |
| C14 | O15 | C11 | C12 | 15.5° | 26.5° |
| O15 | C14 | C13 | H3 | 87.5° | 81.2° |
| O15 | C14 | C13 | H4 | 150.2° | 155.2° |
| C14 | O15 | C11 | H13 | 105.0° | 93.0° |
| O15 | C14 | H16 | H17 | 121.8° | 123.0° |
| C11 | O15 | C14 | C13 | 11.3° | 40.0° |
| O15 | C11 | C12 | C13 | 34.1° | 2.0° |
| O15 | C11 | C10 | C12 | 118.2° | 117.9° |
| O15 | C11 | C10 | H13 | 116.6° | 121.2° |
| O15 | C11 | C12 | H13 | 117.5° | 119.5° |
| O15 | C11 | C10 | N09 | 48.5° | 67.2° |
| O15 | C11 | C10 | H1 | 71.6° | 172.8° |
| O15 | C11 | C10 | H2 | 168.5° | 52.8° |
| O15 | C11 | C12 | H14 | 152.8° | 120.7° |
| O15 | C11 | C12 | H15 | 84.7° | 116.6° |
| C11 | O15 | C14 | H16 | 130.7° | 158.6° |
| C11 | O15 | C14 | H17 | 108.1° | 78.5° |
| C14 | C13 | C12 | H3 | 118.9° | 118.2° |
| C14 | C13 | C12 | H4 | 118.9° | 118.2° |
| C14 | C13 | C12 | C11 | 40.8° | 20.9° |
| C14 | C13 | H3 | H4 | 123.3° | 123.7° |
| C14 | C13 | C12 | H14 | 159.6° | 97.8° |
| C14 | C13 | C12 | H15 | 78.0° | 139.5° |
| C13 | C14 | H16 | H17 | 121.8° | 122.9° |
| C03 | C04 | C05 | C16 | 1.0° | 0.1° |
| C03 | C04 | C05 | H10 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 178.9° | 180.0° |
| C16 | C05 | C04 | C06 | 177.9° | 180.0° |
| C16 | C05 | C06 | C07 | 63.0° | 90.0° |
| C05 | C16 | C17 | H5 | 179.8° | 179.7° |
| C16 | C05 | C04 | H10 | 179.0° | 180.0° |
| C16 | C05 | C06 | H11 | 57.5° | 30.0° |
| C16 | C05 | C06 | H12 | 176.4° | 150.0° |
| C13 | C12 | C11 | C10 | 153.5° | 121.5° |
| C13 | C12 | C11 | H14 | 118.8° | 118.7° |
| C13 | C12 | C11 | H15 | 118.8° | 118.7° |
| C12 | C13 | H3 | H4 | 123.2° | 123.6° |
| C13 | C12 | C11 | H13 | 83.4° | 117.5° |
| C13 | C12 | H14 | H15 | 123.5° | 122.6° |
| C12 | C13 | C14 | H16 | 150.7° | 155.5° |
| C12 | C13 | C14 | H17 | 88.0° | 81.6° |
| C10 | C11 | C12 | H13 | 123.1° | 121.0° |
| C11 | C10 | N09 | H1 | 120.0° | 120.0° |
| C11 | C10 | N09 | H2 | 120.0° | 120.0° |
| C11 | C10 | N09 | C07 | 106.2° | 180.0° |
| C11 | C10 | H1 | H2 | 119.9° | 120.0° |
| C10 | C11 | C12 | H14 | 87.7° | 119.8° |
| C10 | C11 | C12 | H15 | 34.7° | 2.8° |
| C11 | C10 | N09 | H19 | 73.8° | 0.0° |
| C12 | C11 | C10 | N09 | 69.8° | 175.0° |
| C12 | C11 | C10 | H1 | 170.2° | 55.0° |
| C12 | C11 | C10 | H2 | 50.3° | 65.0° |
| C11 | C12 | C13 | H3 | 78.1° | 97.3° |
| C11 | C12 | C13 | H4 | 159.7° | 139.1° |
| C11 | C12 | H14 | H15 | 123.5° | 122.6° |
| C04 | C05 | C06 | C07 | 114.9° | 90.0° |
| C05 | C04 | C03 | H9 | 179.4° | 180.0° |
| C04 | C05 | C06 | H11 | 124.6° | 150.0° |
| C04 | C05 | C06 | H12 | 5.6° | 30.0° |
| C04 | C05 | C16 | H18 | 179.3° | 179.7° |
| C05 | C06 | C07 | N09 | 2.3° | 180.0° |
| C05 | C06 | C07 | H11 | 120.5° | 120.0° |
| C05 | C06 | C07 | H12 | 120.6° | 120.0° |
| C05 | C06 | C07 | O08 | 178.1° | 0.0° |
| C06 | C05 | C04 | H10 | 1.1° | 0.1° |
| C05 | C06 | H11 | H12 | 118.4° | 120.0° |
| C06 | C05 | C16 | H18 | 1.3° | 0.3° |
| C10 | N09 | C07 | H19 | 180.0° | 180.0° |
| C10 | N09 | C07 | C06 | 179.6° | 180.0° |
| C10 | N09 | C07 | O08 | 0.8° | 0.0° |
| N09 | C10 | H1 | H2 | 119.9° | 120.0° |
| N09 | C10 | C11 | H13 | 165.1° | 54.0° |
| N09 | C07 | C06 | O08 | 179.5° | 180.0° |
| C07 | N09 | C10 | H1 | 133.7° | 60.0° |
| C07 | N09 | C10 | H2 | 13.8° | 60.0° |
| N09 | C07 | C06 | H11 | 122.8° | 60.0° |
| N09 | C07 | C06 | H12 | 118.3° | 60.0° |
| C07 | C06 | H11 | H12 | 118.3° | 120.0° |
| C06 | C07 | N09 | H19 | 0.4° | 0.0° |
| O08 | C07 | C06 | H11 | 57.6° | 120.0° |
| O08 | C07 | C06 | H12 | 61.3° | 120.0° |
| O08 | C07 | N09 | H19 | 179.2° | 180.0° |
| H1 | C10 | C11 | H13 | 45.1° | 66.0° |
| H1 | C10 | N09 | H19 | 46.2° | 120.0° |
| H2 | C10 | C11 | H13 | 74.9° | 174.0° |
| H2 | C10 | N09 | H19 | 166.2° | 120.0° |
| H3 | C13 | C12 | H14 | 40.7° | 144.0° |
| H3 | C13 | C12 | H15 | 163.1° | 21.3° |
| H3 | C13 | C14 | H16 | 31.9° | 37.4° |
| H3 | C13 | C14 | H17 | 153.1° | 160.2° |
| H4 | C13 | C12 | H14 | 81.5° | 20.4° |
| H4 | C13 | C12 | H15 | 40.9° | 102.3° |
| H4 | C13 | C14 | H16 | 90.4° | 86.2° |
| H4 | C13 | C14 | H17 | 30.8° | 36.6° |
| H5 | C17 | C16 | H18 | 0.2° | 0.0° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C03 | C04 | H10 | 0.6° | 0.1° |
| H13 | C11 | C12 | H14 | 35.4° | 1.2° |
| H13 | C11 | C12 | H15 | 157.8° | 123.8° |
