92W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C20 | sing | 1.47Å | 1.45Å | |
| O22 | C19 | doub | 1.21Å | 1.19Å | |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| C19 | N18 | sing | 1.35Å | 1.48Å | |
| N18 | C23 | sing | 1.48Å | 1.46Å | |
| N18 | C17 | sing | 1.43Å | 1.46Å | |
| C23 | C24 | sing | 1.55Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.54Å | 1.55Å | |
| C24 | N14 | sing | 1.44Å | 1.48Å | |
| C16 | C15 | sing | 1.47Å | 1.53Å | |
| N14 | C15 | sing | 1.48Å | 1.46Å | |
| N14 | S02 | sing | 1.66Å | 1.75Å | |
| O26 | S02 | doub | 1.42Å | 1.47Å | |
| C10 | C09 | sing | 1.51Å | 1.52Å | |
| S02 | O01 | doub | 1.42Å | 1.48Å | |
| S02 | C03 | sing | 1.76Å | 1.85Å | |
| C09 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.44Å | Aromatic |
| C03 | C08 | doub | 1.40Å | 1.48Å | Aromatic |
| C03 | C04 | sing | 1.36Å | 1.40Å | Aromatic |
| C11 | N12 | sing | 1.33Å | 1.35Å | Aromatic |
| C08 | C07 | sing | 1.42Å | 1.37Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| N12 | C13 | doub | 1.31Å | 1.35Å | Aromatic |
| C07 | C13 | sing | 1.40Å | 1.44Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
| C05 | C06 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| N21 | H23 | sing | 1.01Å | 1.00Å | |
| N21 | H24 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | C20 | C19 | 109.6° | 109.4° |
| N21 | C20 | H9 | 109.4° | 109.5° |
| N21 | C20 | H10 | 109.4° | 109.4° |
| C20 | N21 | H23 | 109.5° | 111.0° |
| C20 | N21 | H24 | 109.5° | 111.0° |
| O22 | C19 | C20 | 116.0° | 120.0° |
| O22 | C19 | N18 | 120.0° | 120.0° |
| C20 | C19 | N18 | 124.0° | 120.0° |
| C19 | C20 | H9 | 109.4° | 109.5° |
| C19 | C20 | H10 | 109.4° | 109.5° |
| C19 | N18 | C23 | 115.7° | 119.0° |
| C19 | N18 | C17 | 118.4° | 118.8° |
| C23 | N18 | C17 | 125.9° | 122.2° |
| N18 | C23 | C24 | 117.6° | 109.4° |
| N18 | C23 | H18 | 107.4° | 109.4° |
| N18 | C23 | H19 | 107.4° | 109.6° |
| N18 | C17 | C16 | 114.9° | 107.9° |
| N18 | C17 | H7 | 108.1° | 109.8° |
| N18 | C17 | H8 | 108.1° | 109.8° |
| C23 | C24 | C25 | 106.6° | 108.8° |
| C23 | C24 | N14 | 119.2° | 112.5° |
| C23 | C24 | H11 | 107.0° | 108.8° |
| C24 | C23 | H18 | 107.4° | 109.5° |
| C24 | C23 | H19 | 107.4° | 109.5° |
| C25 | C24 | N14 | 108.6° | 108.9° |
| C25 | C24 | H11 | 107.1° | 108.9° |
| C24 | C25 | H20 | 109.5° | 109.4° |
| C24 | C25 | H21 | 109.5° | 109.4° |
| C24 | C25 | H22 | 109.5° | 109.5° |
| C17 | C16 | C15 | 120.3° | 111.8° |
| C16 | C17 | H7 | 108.1° | 109.8° |
| C16 | C17 | H8 | 108.1° | 109.8° |
| C17 | C16 | H16 | 106.7° | 109.0° |
| C17 | C16 | H17 | 106.7° | 109.0° |
| C24 | N14 | C15 | 125.1° | 120.0° |
| C24 | N14 | S02 | 115.7° | 120.0° |
| N14 | C24 | H11 | 107.8° | 108.8° |
| C16 | C15 | N14 | 115.8° | 110.2° |
| C16 | C15 | H5 | 107.9° | 109.4° |
| C16 | C15 | H6 | 107.9° | 109.3° |
| C15 | C16 | H16 | 106.7° | 109.0° |
| C15 | C16 | H17 | 106.7° | 109.0° |
| C15 | N14 | S02 | 111.3° | 120.0° |
| N14 | C15 | H5 | 107.9° | 109.3° |
| N14 | C15 | H6 | 107.8° | 109.3° |
| N14 | S02 | O26 | 113.3° | 106.4° |
| N14 | S02 | O01 | 110.5° | 106.4° |
| N14 | S02 | C03 | 114.6° | 107.2° |
| O26 | S02 | O01 | 98.6° | 123.2° |
| O26 | S02 | C03 | 112.7° | 106.4° |
| C10 | C09 | C11 | 113.4° | 120.6° |
| C10 | C09 | C08 | 125.5° | 120.7° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.4° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| O01 | S02 | C03 | 105.5° | 106.4° |
| S02 | C03 | C08 | 129.2° | 120.3° |
| S02 | C03 | C04 | 111.6° | 120.2° |
| C11 | C09 | C08 | 121.1° | 118.7° |
| C09 | C11 | N12 | 122.0° | 121.8° |
| C09 | C11 | H15 | 119.0° | 119.1° |
| C09 | C08 | C03 | 127.7° | 122.2° |
| C09 | C08 | C07 | 115.4° | 118.2° |
| C08 | C03 | C04 | 119.2° | 119.5° |
| C03 | C08 | C07 | 116.9° | 119.6° |
| C03 | C04 | C05 | 122.4° | 121.0° |
| C03 | C04 | H12 | 118.8° | 119.5° |
| C11 | N12 | C13 | 118.9° | 122.8° |
| N12 | C11 | H15 | 119.0° | 119.1° |
| C08 | C07 | C13 | 121.0° | 118.6° |
| C08 | C07 | C06 | 122.1° | 119.3° |
| C04 | C05 | C06 | 118.9° | 121.1° |
| C05 | C04 | H12 | 118.8° | 119.5° |
| C04 | C05 | H13 | 120.5° | 119.4° |
| N12 | C13 | C07 | 121.6° | 119.8° |
| N12 | C13 | H4 | 119.2° | 120.1° |
| C13 | C07 | C06 | 116.9° | 122.1° |
| C07 | C13 | H4 | 119.2° | 120.1° |
| C07 | C06 | C05 | 120.5° | 119.5° |
| C07 | C06 | H14 | 119.7° | 120.3° |
| C06 | C05 | H13 | 120.5° | 119.5° |
| C05 | C06 | H14 | 119.8° | 120.2° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.6° |
| H5 | C15 | H6 | 109.5° | 109.3° |
| H7 | C17 | H8 | 109.5° | 109.7° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 108.9° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H22 | 109.4° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | N21 | H24 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C20 | C19 | O22 | 2.2° | 25.4° |
| N21 | C20 | C19 | H9 | 120.0° | 120.0° |
| N21 | C20 | C19 | H10 | 120.0° | 119.9° |
| N21 | C20 | C19 | N18 | 178.0° | 154.6° |
| N21 | C20 | H9 | H10 | 119.9° | 120.0° |
| C20 | N21 | H23 | H24 | 120.0° | 123.9° |
| O22 | C19 | C20 | N18 | 179.8° | 180.0° |
| O22 | C19 | N18 | C23 | 0.1° | 0.0° |
| O22 | C19 | N18 | C17 | 179.5° | 179.9° |
| O22 | C19 | C20 | H9 | 117.9° | 145.4° |
| O22 | C19 | C20 | H10 | 122.2° | 94.5° |
| C20 | C19 | N18 | C23 | 179.7° | 180.0° |
| C20 | C19 | N18 | C17 | 0.2° | 0.2° |
| C19 | C20 | H9 | H10 | 119.9° | 120.0° |
| C19 | C20 | N21 | H23 | 180.0° | 172.9° |
| C19 | C20 | N21 | H24 | 60.0° | 49.0° |
| C19 | N18 | C23 | C17 | 179.4° | 179.8° |
| C19 | N18 | C23 | C24 | 140.2° | 140.7° |
| C19 | N18 | C17 | C16 | 155.9° | 86.4° |
| C19 | N18 | C17 | H7 | 35.1° | 153.9° |
| C19 | N18 | C17 | H8 | 83.3° | 33.2° |
| N18 | C19 | C20 | H9 | 61.9° | 34.6° |
| N18 | C19 | C20 | H10 | 58.0° | 85.4° |
| C19 | N18 | C23 | H18 | 19.1° | 20.7° |
| C19 | N18 | C23 | H19 | 98.6° | 99.3° |
| N18 | C23 | C24 | H18 | 121.2° | 119.9° |
| N18 | C23 | C24 | H19 | 121.2° | 120.1° |
| N18 | C23 | C24 | C25 | 54.0° | 81.5° |
| C23 | N18 | C17 | C16 | 23.5° | 93.7° |
| N18 | C23 | C24 | N14 | 69.2° | 39.3° |
| C23 | N18 | C17 | H7 | 144.3° | 25.9° |
| C23 | N18 | C17 | H8 | 97.3° | 146.6° |
| N18 | C23 | C24 | H11 | 168.3° | 160.0° |
| N18 | C23 | H18 | H19 | 116.3° | 120.1° |
| C17 | N18 | C23 | C24 | 40.3° | 39.5° |
| N18 | C17 | C16 | H7 | 120.8° | 119.6° |
| N18 | C17 | C16 | H8 | 120.8° | 119.7° |
| N18 | C17 | C16 | C15 | 73.2° | 78.3° |
| N18 | C17 | H7 | H8 | 117.5° | 120.8° |
| N18 | C17 | C16 | H16 | 48.3° | 161.1° |
| N18 | C17 | C16 | H17 | 165.2° | 42.3° |
| C17 | N18 | C23 | H18 | 161.5° | 159.4° |
| C17 | N18 | C23 | H19 | 80.9° | 80.5° |
| C23 | C24 | C25 | N14 | 129.6° | 123.0° |
| C23 | C24 | C25 | H11 | 114.3° | 118.5° |
| C23 | C24 | N14 | H11 | 122.1° | 120.7° |
| C23 | C24 | N14 | C15 | 52.8° | 90.6° |
| C23 | C24 | N14 | S02 | 161.2° | 89.3° |
| C24 | C23 | H18 | H19 | 116.3° | 120.0° |
| C23 | C24 | C25 | H20 | 180.0° | 71.4° |
| C23 | C24 | C25 | H21 | 60.0° | 48.7° |
| C23 | C24 | C25 | H22 | 60.0° | 168.6° |
| C25 | C24 | N14 | H11 | 115.7° | 118.5° |
| C25 | C24 | N14 | C15 | 69.4° | 30.1° |
| C25 | C24 | N14 | S02 | 76.5° | 150.0° |
| C25 | C24 | C23 | H18 | 67.2° | 158.6° |
| C25 | C24 | C23 | H19 | 175.1° | 38.6° |
| C24 | C25 | H20 | H21 | 120.0° | 120.0° |
| C24 | C25 | H20 | H22 | 120.0° | 120.0° |
| C24 | C25 | H21 | H22 | 120.0° | 120.0° |
| C17 | C16 | C15 | H16 | 121.5° | 120.6° |
| C17 | C16 | C15 | H17 | 121.5° | 120.6° |
| C17 | C16 | C15 | N14 | 63.9° | 58.4° |
| C17 | C16 | C15 | H5 | 175.2° | 178.6° |
| C17 | C16 | C15 | H6 | 57.0° | 61.8° |
| C16 | C17 | H7 | H8 | 117.6° | 120.7° |
| C17 | C16 | H16 | H17 | 115.1° | 118.9° |
| C24 | N14 | C15 | C16 | 41.5° | 77.5° |
| C24 | N14 | C15 | S02 | 147.2° | 179.9° |
| C24 | N14 | S02 | O26 | 37.5° | 136.4° |
| C24 | N14 | S02 | O01 | 72.1° | 3.5° |
| C24 | N14 | S02 | C03 | 168.8° | 110.1° |
| C24 | N14 | C15 | H5 | 162.4° | 162.2° |
| C24 | N14 | C15 | H6 | 79.4° | 42.7° |
| N14 | C24 | C23 | H18 | 169.6° | 80.6° |
| N14 | C24 | C23 | H19 | 52.0° | 159.4° |
| N14 | C24 | C25 | H20 | 50.4° | 51.6° |
| N14 | C24 | C25 | H21 | 69.6° | 171.7° |
| N14 | C24 | C25 | H22 | 170.4° | 68.4° |
| C16 | C15 | N14 | H5 | 120.9° | 120.2° |
| C16 | C15 | N14 | H6 | 121.0° | 120.2° |
| C16 | C15 | N14 | S02 | 171.3° | 102.4° |
| C16 | C15 | H5 | H6 | 117.1° | 119.7° |
| C15 | C16 | C17 | H7 | 166.0° | 41.3° |
| C15 | C16 | C17 | H8 | 47.5° | 162.0° |
| C15 | C16 | H16 | H17 | 115.1° | 118.8° |
| C15 | N14 | S02 | O26 | 172.0° | 43.7° |
| C15 | N14 | S02 | O01 | 78.4° | 176.6° |
| C15 | N14 | S02 | C03 | 40.6° | 69.8° |
| N14 | C15 | H5 | H6 | 117.1° | 119.6° |
| C15 | N14 | C24 | H11 | 174.9° | 148.7° |
| N14 | C15 | C16 | H16 | 57.6° | 179.0° |
| N14 | C15 | C16 | H17 | 174.6° | 62.2° |
| N14 | S02 | O26 | O01 | 116.8° | 122.9° |
| N14 | S02 | O26 | C03 | 132.3° | 114.1° |
| N14 | S02 | O01 | C03 | 124.4° | 114.1° |
| N14 | S02 | C03 | C08 | 78.6° | 168.3° |
| N14 | S02 | C03 | C04 | 102.5° | 11.7° |
| S02 | N14 | C15 | H5 | 50.3° | 17.8° |
| S02 | N14 | C15 | H6 | 67.8° | 137.4° |
| S02 | N14 | C24 | H11 | 39.2° | 31.4° |
| O26 | S02 | O01 | C03 | 116.6° | 123.0° |
| O26 | S02 | C03 | C08 | 53.1° | 54.8° |
| O26 | S02 | C03 | C04 | 125.8° | 125.2° |
| C10 | C09 | C11 | C08 | 180.0° | 180.0° |
| C10 | C09 | C08 | C03 | 0.7° | 0.1° |
| C10 | C09 | C11 | N12 | 179.7° | 180.0° |
| C10 | C09 | C08 | C07 | 179.9° | 180.0° |
| C09 | C10 | H1 | H2 | 120.0° | 119.9° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | C11 | H15 | 0.3° | 0.0° |
| O01 | S02 | C03 | C08 | 159.6° | 78.1° |
| O01 | S02 | C03 | C04 | 19.3° | 101.8° |
| S02 | C03 | C08 | C09 | 1.1° | 0.0° |
| S02 | C03 | C08 | C04 | 178.8° | 180.0° |
| S02 | C03 | C08 | C07 | 179.6° | 180.0° |
| S02 | C03 | C04 | C05 | 179.9° | 180.0° |
| S02 | C03 | C04 | H12 | 0.1° | 0.0° |
| C11 | C09 | C08 | C03 | 179.3° | 180.0° |
| C09 | C11 | N12 | H15 | 180.0° | 180.0° |
| C11 | C09 | C08 | C07 | 0.0° | 0.0° |
| C09 | C11 | N12 | C13 | 0.6° | 0.0° |
| C11 | C09 | C10 | H1 | 90.0° | 97.8° |
| C11 | C09 | C10 | H2 | 150.0° | 142.3° |
| C11 | C09 | C10 | H3 | 30.0° | 22.2° |
| C09 | C08 | C03 | C07 | 179.3° | 179.9° |
| C09 | C08 | C03 | C04 | 179.9° | 180.0° |
| C08 | C09 | C11 | N12 | 0.2° | 0.0° |
| C09 | C08 | C07 | C13 | 0.2° | 0.1° |
| C09 | C08 | C07 | C06 | 179.7° | 180.0° |
| C08 | C09 | C10 | H1 | 90.0° | 82.2° |
| C08 | C09 | C10 | H2 | 30.0° | 37.7° |
| C08 | C09 | C10 | H3 | 150.0° | 157.8° |
| C08 | C09 | C11 | H15 | 179.8° | 180.0° |
| C08 | C03 | C04 | C05 | 0.9° | 0.0° |
| C03 | C08 | C07 | C13 | 179.2° | 180.0° |
| C03 | C08 | C07 | C06 | 0.3° | 0.0° |
| C08 | C03 | C04 | H12 | 179.1° | 180.0° |
| C04 | C03 | C08 | C07 | 0.8° | 0.1° |
| C03 | C04 | C05 | H12 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C03 | C04 | C05 | H13 | 179.5° | 180.0° |
| C11 | N12 | C13 | C07 | 0.8° | 0.1° |
| C11 | N12 | C13 | H4 | 179.2° | 180.0° |
| C08 | C07 | C13 | N12 | 0.6° | 0.1° |
| C08 | C07 | C13 | C06 | 179.6° | 180.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C08 | C07 | C13 | H4 | 179.4° | 180.0° |
| C08 | C07 | C06 | H14 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C04 | C05 | C06 | H13 | 180.0° | 180.0° |
| C04 | C05 | C06 | H14 | 179.9° | 180.0° |
| N12 | C13 | C07 | H4 | 180.0° | 179.9° |
| N12 | C13 | C07 | C06 | 179.8° | 179.9° |
| C13 | N12 | C11 | H15 | 179.4° | 180.0° |
| C13 | C07 | C06 | C05 | 179.5° | 180.0° |
| C13 | C07 | C06 | H14 | 0.5° | 0.0° |
| C07 | C06 | C05 | H14 | 180.0° | 180.0° |
| C06 | C07 | C13 | H4 | 0.2° | 0.1° |
| C07 | C06 | C05 | H13 | 180.0° | 180.0° |
| C06 | C05 | C04 | H12 | 179.5° | 180.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.1° |
| H5 | C15 | C16 | H16 | 63.3° | 60.8° |
| H5 | C15 | C16 | H17 | 53.7° | 57.9° |
| H6 | C15 | C16 | H16 | 178.5° | 58.8° |
| H6 | C15 | C16 | H17 | 64.5° | 177.6° |
| H7 | C17 | C16 | H16 | 72.5° | 79.3° |
| H7 | C17 | C16 | H17 | 44.4° | 161.9° |
| H8 | C17 | C16 | H16 | 169.0° | 41.4° |
| H8 | C17 | C16 | H17 | 74.0° | 77.4° |
| H9 | C20 | N21 | H23 | 60.0° | 67.1° |
| H9 | C20 | N21 | H24 | 60.0° | 169.0° |
| H10 | C20 | N21 | H23 | 60.0° | 52.9° |
| H10 | C20 | N21 | H24 | 179.9° | 71.0° |
| H11 | C24 | C23 | H18 | 47.2° | 40.1° |
| H11 | C24 | C23 | H19 | 70.5° | 80.0° |
| H11 | C24 | C25 | H20 | 65.7° | 170.1° |
| H11 | C24 | C25 | H21 | 174.3° | 69.8° |
| H11 | C24 | C25 | H22 | 54.3° | 50.1° |
| H12 | C04 | C05 | H13 | 0.5° | 0.0° |
| H13 | C05 | C06 | H14 | 0.0° | 0.0° |
| H20 | C25 | H21 | H22 | 119.9° | 120.1° |
