38W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| N08 | N07 | sing | 1.29Å | 1.35Å | Aromatic |
| N08 | C09 | doub | 1.31Å | 1.35Å | Aromatic |
| N15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| N15 | C16 | sing | 1.36Å | 1.36Å | Aromatic |
| C14 | C27 | doub | 1.41Å | 1.39Å | Aromatic |
| N07 | C06 | doub | 1.31Å | 1.34Å | Aromatic |
| C11 | C09 | sing | 1.48Å | 1.40Å | |
| C11 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | O10 | sing | 1.35Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.43Å | Aromatic |
| C27 | C17 | sing | 1.47Å | 1.44Å | Aromatic |
| C06 | O10 | sing | 1.35Å | 1.36Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.42Å | |
| C17 | C18 | sing | 1.48Å | 1.40Å | |
| N05 | C02 | sing | 1.46Å | 1.44Å | |
| C18 | N19 | doub | 1.33Å | 1.37Å | Aromatic |
| C18 | N23 | sing | 1.33Å | 1.35Å | Aromatic |
| N19 | C20 | sing | 1.32Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| N23 | C22 | doub | 1.32Å | 1.36Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C24 | sing | 1.51Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C26 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| N05 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 119.4° | 120.3° |
| C13 | C12 | C11 | 120.3° | 120.6° |
| C13 | C12 | H11 | 119.9° | 119.6° |
| C12 | C13 | H12 | 120.3° | 119.9° |
| C13 | C14 | N15 | 129.9° | 133.1° |
| C13 | C14 | C27 | 121.3° | 119.6° |
| C14 | C13 | H12 | 120.3° | 119.9° |
| C12 | C11 | C09 | 119.0° | 120.0° |
| C12 | C11 | C28 | 120.4° | 120.0° |
| C11 | C12 | H11 | 119.9° | 119.7° |
| N07 | N08 | C09 | 107.7° | 109.4° |
| N08 | N07 | C06 | 108.5° | 109.5° |
| N08 | C09 | C11 | 124.6° | 126.3° |
| N08 | C09 | O10 | 108.4° | 107.3° |
| C14 | N15 | C16 | 108.7° | 110.3° |
| N15 | C14 | C27 | 108.8° | 107.3° |
| C14 | N15 | H13 | 125.7° | 124.8° |
| N15 | C16 | C17 | 109.7° | 109.9° |
| C16 | N15 | H13 | 125.6° | 124.9° |
| N15 | C16 | H14 | 125.2° | 125.1° |
| C14 | C27 | C28 | 118.8° | 120.1° |
| C14 | C27 | C17 | 107.2° | 106.0° |
| N07 | C06 | O10 | 108.8° | 107.4° |
| N07 | C06 | N05 | 124.2° | 126.3° |
| C09 | C11 | C28 | 120.6° | 120.0° |
| C11 | C09 | O10 | 126.8° | 126.3° |
| C11 | C28 | C27 | 119.8° | 119.4° |
| C11 | C28 | H22 | 120.1° | 120.4° |
| C09 | O10 | C06 | 106.6° | 106.4° |
| C16 | C17 | C27 | 105.6° | 106.5° |
| C16 | C17 | C18 | 125.3° | 126.8° |
| C17 | C16 | H14 | 125.2° | 125.1° |
| C28 | C27 | C17 | 133.9° | 133.9° |
| C27 | C28 | H22 | 120.1° | 120.3° |
| C27 | C17 | C18 | 128.9° | 126.7° |
| O10 | C06 | N05 | 127.0° | 126.3° |
| C06 | N05 | C02 | 121.5° | 120.0° |
| C06 | N05 | H10 | 106.4° | 120.0° |
| C17 | C18 | N19 | 121.3° | 119.3° |
| C17 | C18 | N23 | 119.0° | 119.2° |
| N05 | C02 | C03 | 108.3° | 109.5° |
| N05 | C02 | C04 | 111.2° | 109.5° |
| N05 | C02 | C01 | 107.6° | 109.5° |
| C02 | N05 | H10 | 106.4° | 120.0° |
| N19 | C18 | N23 | 119.3° | 121.5° |
| C18 | N19 | C20 | 121.4° | 120.7° |
| C18 | N23 | C22 | 121.7° | 120.7° |
| N19 | C20 | C21 | 119.3° | 119.2° |
| N19 | C20 | H15 | 120.3° | 120.4° |
| C03 | C02 | C04 | 109.2° | 109.5° |
| C03 | C02 | C01 | 111.3° | 109.4° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.4° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C04 | C02 | C01 | 109.2° | 109.5° |
| C02 | C04 | H7 | 109.5° | 109.5° |
| C02 | C04 | H8 | 109.5° | 109.5° |
| C02 | C04 | H9 | 109.5° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| N23 | C22 | C21 | 120.2° | 119.2° |
| N23 | C22 | C24 | 116.3° | 120.4° |
| C20 | C21 | C22 | 118.0° | 118.6° |
| C21 | C20 | H15 | 120.3° | 120.4° |
| C20 | C21 | H16 | 121.0° | 120.7° |
| C21 | C22 | C24 | 123.4° | 120.4° |
| C22 | C21 | H16 | 121.0° | 120.7° |
| C22 | C24 | C26 | 120.2° | 117.5° |
| C22 | C24 | C25 | 135.8° | 117.5° |
| C22 | C24 | H17 | 110.1° | 115.6° |
| C25 | C26 | C24 | 60.2° | 60.0° |
| C26 | C25 | C24 | 60.1° | 60.0° |
| C26 | C25 | H18 | 120.0° | 117.5° |
| C26 | C25 | H19 | 120.0° | 117.5° |
| C25 | C26 | H20 | 120.0° | 117.5° |
| C25 | C26 | H21 | 120.0° | 117.5° |
| C26 | C24 | C25 | 59.7° | 60.0° |
| C26 | C24 | H17 | 110.1° | 117.5° |
| C24 | C26 | H20 | 120.0° | 117.5° |
| C24 | C26 | H21 | 120.0° | 117.5° |
| C25 | C24 | H17 | 110.1° | 117.5° |
| C24 | C25 | H18 | 120.0° | 117.5° |
| C24 | C25 | H19 | 120.0° | 117.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H4 | C03 | H5 | 109.4° | 109.4° |
| H4 | C03 | H6 | 109.5° | 109.6° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H7 | C04 | H9 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 115.5° |
| H20 | C26 | H21 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | N15 | 180.0° | 180.0° |
| C12 | C13 | C14 | C27 | 0.3° | 0.1° |
| C13 | C12 | C11 | C09 | 179.1° | 180.0° |
| C13 | C12 | C11 | C28 | 1.5° | 0.2° |
| C14 | C13 | C12 | C11 | 0.8° | 0.0° |
| C13 | C14 | N15 | C27 | 179.7° | 179.9° |
| C13 | C14 | N15 | C16 | 179.2° | 179.9° |
| C13 | C14 | C27 | C28 | 0.5° | 0.4° |
| C13 | C14 | C27 | C17 | 179.7° | 180.0° |
| C14 | C13 | C12 | H11 | 179.2° | 180.0° |
| C13 | C14 | N15 | H13 | 0.8° | 0.0° |
| C12 | C11 | C09 | N08 | 3.1° | 179.7° |
| C12 | C11 | C09 | C28 | 177.6° | 179.8° |
| C12 | C11 | C09 | O10 | 179.6° | 0.2° |
| C12 | C11 | C28 | C27 | 1.7° | 0.5° |
| C11 | C12 | C13 | H12 | 179.2° | 180.0° |
| C12 | C11 | C28 | H22 | 178.3° | 179.7° |
| N07 | N08 | C09 | C11 | 178.2° | 180.0° |
| N07 | N08 | C09 | O10 | 1.2° | 0.0° |
| N08 | N07 | C06 | O10 | 0.1° | 0.0° |
| N08 | N07 | C06 | N05 | 179.8° | 179.7° |
| C09 | N08 | N07 | C06 | 0.8° | 0.0° |
| N08 | C09 | C11 | O10 | 176.5° | 180.0° |
| N08 | C09 | C11 | C28 | 174.5° | 0.0° |
| N08 | C09 | O10 | C06 | 1.1° | 0.0° |
| C14 | N15 | C16 | H13 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 1.4° | 0.0° |
| N15 | C14 | C27 | C28 | 179.7° | 179.7° |
| N15 | C14 | C27 | C17 | 0.5° | 0.0° |
| N15 | C14 | C13 | H12 | 0.0° | 0.1° |
| C14 | N15 | C16 | H14 | 178.6° | 180.0° |
| C16 | N15 | C14 | C27 | 0.5° | 0.0° |
| N15 | C16 | C17 | H14 | 180.0° | 180.0° |
| N15 | C16 | C17 | C27 | 1.7° | 0.0° |
| N15 | C16 | C17 | C18 | 176.6° | 180.0° |
| C14 | C27 | C28 | C11 | 1.2° | 0.6° |
| C14 | C27 | C17 | C16 | 1.4° | 0.0° |
| C14 | C27 | C28 | C17 | 178.9° | 179.6° |
| C14 | C27 | C17 | C18 | 176.0° | 180.0° |
| C27 | C14 | C13 | H12 | 179.7° | 180.0° |
| C27 | C14 | N15 | H13 | 179.5° | 179.9° |
| C14 | C27 | C28 | H22 | 178.8° | 179.7° |
| N07 | C06 | O10 | C09 | 0.6° | 0.0° |
| N07 | C06 | O10 | N05 | 180.0° | 179.8° |
| N07 | C06 | N05 | C02 | 177.8° | 0.3° |
| N07 | C06 | N05 | H10 | 60.6° | 179.7° |
| C09 | C11 | C28 | C27 | 179.3° | 179.7° |
| C11 | C09 | O10 | C06 | 178.1° | 180.0° |
| C09 | C11 | C12 | H11 | 0.9° | 0.0° |
| C09 | C11 | C28 | H22 | 0.8° | 0.0° |
| C28 | C11 | C09 | O10 | 2.0° | 180.0° |
| C11 | C28 | C27 | H22 | 180.0° | 179.8° |
| C11 | C28 | C27 | C17 | 179.9° | 179.9° |
| C28 | C11 | C12 | H11 | 178.5° | 179.8° |
| C09 | O10 | C06 | N05 | 179.5° | 179.7° |
| C16 | C17 | C27 | C28 | 179.7° | 179.7° |
| C16 | C17 | C27 | C18 | 174.7° | 179.9° |
| C16 | C17 | C18 | N19 | 0.8° | 180.0° |
| C16 | C17 | C18 | N23 | 174.2° | 0.3° |
| C17 | C16 | N15 | H13 | 178.6° | 180.0° |
| C28 | C27 | C17 | C18 | 5.0° | 0.4° |
| C27 | C17 | C18 | N19 | 172.9° | 0.1° |
| C27 | C17 | C18 | N23 | 0.5° | 179.7° |
| C27 | C17 | C16 | H14 | 178.3° | 180.0° |
| C17 | C27 | C28 | H22 | 0.1° | 0.1° |
| O10 | C06 | N05 | C02 | 2.2° | 180.0° |
| O10 | C06 | N05 | H10 | 119.5° | 0.1° |
| C06 | N05 | C02 | H10 | 121.6° | 179.9° |
| C06 | N05 | C02 | C03 | 63.6° | 60.0° |
| C06 | N05 | C02 | C04 | 56.5° | 60.0° |
| C06 | N05 | C02 | C01 | 176.0° | 180.0° |
| C17 | C18 | N19 | N23 | 173.3° | 179.8° |
| C17 | C18 | N19 | C20 | 177.0° | 180.0° |
| C17 | C18 | N23 | C22 | 176.4° | 179.7° |
| C18 | C17 | C16 | H14 | 3.3° | 0.0° |
| N05 | C02 | C03 | C04 | 121.3° | 120.0° |
| N05 | C02 | C03 | C01 | 118.0° | 120.0° |
| N05 | C02 | C04 | C01 | 118.6° | 120.0° |
| N05 | C02 | C01 | H1 | 180.0° | 60.0° |
| N05 | C02 | C01 | H2 | 60.0° | 60.0° |
| N05 | C02 | C01 | H3 | 60.0° | 180.0° |
| N05 | C02 | C03 | H4 | 180.0° | 59.9° |
| N05 | C02 | C03 | H5 | 60.0° | 60.0° |
| N05 | C02 | C03 | H6 | 60.0° | 179.9° |
| N05 | C02 | C04 | H7 | 180.0° | 180.0° |
| N05 | C02 | C04 | H8 | 60.0° | 60.0° |
| N05 | C02 | C04 | H9 | 60.0° | 60.0° |
| N19 | C18 | N23 | C22 | 2.9° | 0.5° |
| C18 | N19 | C20 | C21 | 2.6° | 0.1° |
| C18 | N19 | C20 | H15 | 177.4° | 180.0° |
| N23 | C18 | N19 | C20 | 3.6° | 0.2° |
| C18 | N23 | C22 | C21 | 1.2° | 0.5° |
| C18 | N23 | C22 | C24 | 177.1° | 179.8° |
| N19 | C20 | C21 | H15 | 180.0° | 179.9° |
| N19 | C20 | C21 | C22 | 0.8° | 0.1° |
| N19 | C20 | C21 | H16 | 179.2° | 180.0° |
| C03 | C02 | C04 | C01 | 121.9° | 120.0° |
| C03 | C02 | C01 | H1 | 61.6° | 60.0° |
| C03 | C02 | C01 | H2 | 58.5° | 180.0° |
| C03 | C02 | C01 | H3 | 178.4° | 60.0° |
| C02 | C03 | H4 | H5 | 120.0° | 119.9° |
| C02 | C03 | H4 | H6 | 120.0° | 120.1° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | C04 | H7 | 60.5° | 60.0° |
| C03 | C02 | C04 | H8 | 179.4° | 180.0° |
| C03 | C02 | C04 | H9 | 59.5° | 60.0° |
| C03 | C02 | N05 | H10 | 58.1° | 120.0° |
| C04 | C02 | C01 | H1 | 59.1° | 180.0° |
| C04 | C02 | C01 | H2 | 179.2° | 60.0° |
| C04 | C02 | C01 | H3 | 60.9° | 59.9° |
| C04 | C02 | C03 | H4 | 58.7° | 60.1° |
| C04 | C02 | C03 | H5 | 61.3° | 180.0° |
| C04 | C02 | C03 | H6 | 178.7° | 60.0° |
| C02 | C04 | H7 | H8 | 120.0° | 120.0° |
| C02 | C04 | H7 | H9 | 120.0° | 120.0° |
| C02 | C04 | H8 | H9 | 120.0° | 120.0° |
| C04 | C02 | N05 | H10 | 178.1° | 119.9° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 62.0° | 179.9° |
| C01 | C02 | C03 | H5 | 178.0° | 60.0° |
| C01 | C02 | C03 | H6 | 58.0° | 59.9° |
| C01 | C02 | C04 | H7 | 61.4° | 60.0° |
| C01 | C02 | C04 | H8 | 58.6° | 60.0° |
| C01 | C02 | C04 | H9 | 178.6° | 180.0° |
| C01 | C02 | N05 | H10 | 62.3° | 0.1° |
| N23 | C22 | C21 | C20 | 0.1° | 0.3° |
| N23 | C22 | C21 | C24 | 178.1° | 179.7° |
| N23 | C22 | C24 | C26 | 16.6° | 164.0° |
| N23 | C22 | C24 | C25 | 59.6° | 95.4° |
| N23 | C22 | C21 | H16 | 179.9° | 179.8° |
| N23 | C22 | C24 | H17 | 146.1° | 50.4° |
| C20 | C21 | C22 | H16 | 180.0° | 179.9° |
| C20 | C21 | C22 | C24 | 178.1° | 180.0° |
| C21 | C22 | C24 | C26 | 161.6° | 16.3° |
| C21 | C22 | C24 | C25 | 122.2° | 84.9° |
| C22 | C21 | C20 | H15 | 179.2° | 180.0° |
| C21 | C22 | C24 | H17 | 32.1° | 129.4° |
| C22 | C24 | C25 | C26 | 103.7° | 107.5° |
| C22 | C24 | C26 | H17 | 129.5° | 144.9° |
| C22 | C24 | C25 | H17 | 154.3° | 145.1° |
| C24 | C22 | C21 | H16 | 1.9° | 0.1° |
| C22 | C24 | C25 | H18 | 5.8° | 145.1° |
| C22 | C24 | C25 | H19 | 146.9° | 0.1° |
| C22 | C24 | C26 | H20 | 122.1° | 0.1° |
| C22 | C24 | C26 | H21 | 18.9° | 145.0° |
| C25 | C26 | C24 | H20 | 109.5° | 107.4° |
| C25 | C26 | C24 | H21 | 109.5° | 107.5° |
| C26 | C25 | C24 | H18 | 109.5° | 107.5° |
| C26 | C25 | C24 | H19 | 109.5° | 107.5° |
| C25 | C26 | C24 | H17 | 102.1° | 107.5° |
| C26 | C25 | H18 | H19 | 144.6° | 145.7° |
| C25 | C26 | H20 | H21 | 144.7° | 145.7° |
| C24 | C26 | H20 | H21 | 144.7° | 145.8° |
| C24 | C25 | H18 | H19 | 144.7° | 145.7° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 120.1° |
| H7 | C04 | H8 | H9 | 120.0° | 120.0° |
| H11 | C12 | C13 | H12 | 0.8° | 0.0° |
| H13 | N15 | C16 | H14 | 1.4° | 0.0° |
| H15 | C20 | C21 | H16 | 0.8° | 0.1° |
| H17 | C24 | C25 | H18 | 148.4° | 0.0° |
| H17 | C24 | C25 | H19 | 7.4° | 145.0° |
| H17 | C24 | C26 | H20 | 7.4° | 145.0° |
| H17 | C24 | C26 | H21 | 148.4° | 0.1° |
| H18 | C25 | C26 | H20 | 141.0° | 145.0° |
| H18 | C25 | C26 | H21 | 0.0° | 0.0° |
| H19 | C25 | C26 | H20 | 0.0° | 0.0° |
| H19 | C25 | C26 | H21 | 141.0° | 145.0° |
