W2C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C24 | sing | 1.43Å | 1.43Å | |
| C27 | N28 | trip | 1.14Å | 1.16Å | |
| C9 | C8 | sing | 1.51Å | 1.47Å | |
| C9 | N10 | doub | 1.28Å | 1.25Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C3 | sing | 1.48Å | 1.46Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C12 | C14 | sing | 1.51Å | 1.49Å | |
| C12 | N11 | sing | 1.35Å | 1.37Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C18 | N19 | sing | 1.47Å | 1.45Å | |
| C14 | N19 | sing | 1.47Å | 1.45Å | |
| C16 | O20 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | N11 | sing | 1.46Å | 1.43Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N19 | H19 | sing | 1.01Å | 1.00Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C27 | N28 | 177.4° | 180.0° |
| C27 | C24 | C23 | 124.7° | 120.1° |
| C27 | C24 | C25 | 115.9° | 120.0° |
| C8 | C9 | N10 | 120.1° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C9 | C8 | C7 | 112.4° | 109.5° |
| C9 | C8 | N11 | 110.3° | 109.5° |
| C9 | C8 | H8 | 109.1° | 109.5° |
| N10 | C9 | H9 | 120.0° | 120.0° |
| C9 | N10 | H10 | 112.0° | 120.0° |
| C22 | C23 | C24 | 119.9° | 120.0° |
| C23 | C22 | C21 | 121.8° | 120.0° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C23 | C22 | H22 | 119.1° | 120.0° |
| C23 | C24 | C25 | 119.4° | 119.9° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C26 | C25 | C24 | 119.7° | 120.0° |
| C25 | C26 | C21 | 122.6° | 120.0° |
| C26 | C25 | H25 | 120.1° | 120.0° |
| C25 | C26 | H26 | 118.7° | 120.0° |
| C24 | C25 | H25 | 120.1° | 120.0° |
| C22 | C21 | C26 | 116.6° | 120.1° |
| C22 | C21 | C3 | 122.7° | 120.0° |
| C21 | C22 | H22 | 119.1° | 120.0° |
| C26 | C21 | C3 | 120.7° | 120.0° |
| C21 | C26 | H26 | 118.7° | 120.0° |
| C1 | C2 | C3 | 120.7° | 119.9° |
| C2 | C1 | C6 | 121.3° | 120.1° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C2 | C1 | H1 | 119.3° | 120.0° |
| C2 | C3 | C4 | 117.4° | 119.8° |
| C2 | C3 | C21 | 123.8° | 120.1° |
| C3 | C2 | H2 | 119.7° | 120.1° |
| C5 | C4 | C3 | 121.9° | 119.8° |
| C4 | C5 | C6 | 120.8° | 120.1° |
| C5 | C4 | H4 | 119.0° | 120.1° |
| C4 | C5 | H5 | 119.6° | 119.9° |
| C4 | C3 | C21 | 118.8° | 120.1° |
| C3 | C4 | H4 | 119.0° | 120.1° |
| C1 | C6 | C5 | 117.8° | 120.3° |
| C1 | C6 | C7 | 123.3° | 119.8° |
| C6 | C1 | H1 | 119.3° | 120.0° |
| C5 | C6 | C7 | 118.9° | 119.9° |
| C6 | C5 | H5 | 119.6° | 119.9° |
| C6 | C7 | C8 | 112.9° | 109.5° |
| C6 | C7 | H71C | 108.6° | 109.5° |
| C6 | C7 | H72C | 108.6° | 109.5° |
| C14 | C12 | N11 | 112.1° | 120.0° |
| C14 | C12 | O13 | 121.1° | 120.0° |
| C12 | C14 | C15 | 104.9° | 109.5° |
| C12 | C14 | N19 | 109.5° | 109.4° |
| C12 | C14 | H14 | 110.9° | 109.5° |
| N11 | C12 | O13 | 126.8° | 120.0° |
| C12 | N11 | C8 | 121.1° | 120.1° |
| C12 | N11 | H11 | 119.5° | 120.0° |
| C18 | C17 | C16 | 111.5° | 109.3° |
| C17 | C18 | N19 | 110.2° | 109.5° |
| C18 | C17 | H171 | 108.9° | 109.5° |
| C18 | C17 | H172 | 109.0° | 109.5° |
| C17 | C18 | H181 | 109.3° | 109.5° |
| C17 | C18 | H182 | 109.3° | 109.5° |
| C17 | C16 | C15 | 112.3° | 109.2° |
| C17 | C16 | O20 | 110.9° | 109.5° |
| C16 | C17 | H171 | 109.0° | 109.5° |
| C16 | C17 | H172 | 109.0° | 109.5° |
| C17 | C16 | H16 | 108.3° | 109.5° |
| C14 | C15 | C16 | 113.0° | 109.3° |
| C15 | C14 | N19 | 109.3° | 109.5° |
| C15 | C14 | H14 | 110.5° | 109.5° |
| C14 | C15 | H151 | 108.6° | 109.5° |
| C14 | C15 | H152 | 108.6° | 109.5° |
| C15 | C16 | O20 | 107.3° | 109.5° |
| C15 | C16 | H16 | 108.3° | 109.5° |
| C16 | C15 | H151 | 108.6° | 109.5° |
| C16 | C15 | H152 | 108.6° | 109.5° |
| C18 | N19 | C14 | 108.6° | 111.2° |
| N19 | C18 | H181 | 109.3° | 109.4° |
| N19 | C18 | H182 | 109.3° | 109.5° |
| C18 | N19 | H19 | 109.7° | 111.0° |
| N19 | C14 | H14 | 111.5° | 109.5° |
| C14 | N19 | H19 | 109.7° | 111.0° |
| O20 | C16 | H16 | 109.7° | 109.6° |
| C16 | O20 | H20 | 109.5° | 114.0° |
| C7 | C8 | N11 | 107.2° | 109.5° |
| C7 | C8 | H8 | 108.3° | 109.4° |
| C8 | C7 | H71C | 108.6° | 109.5° |
| C8 | C7 | H72C | 108.6° | 109.5° |
| N11 | C8 | H8 | 109.5° | 109.5° |
| C8 | N11 | H11 | 119.4° | 120.0° |
| H71C | C7 | H72C | 109.4° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C24 | C23 | C22 | 179.4° | 180.0° |
| C27 | C24 | C23 | C25 | 179.4° | 180.0° |
| C27 | C24 | C25 | C26 | 179.4° | 180.0° |
| C27 | C24 | C23 | H23 | 0.6° | 0.3° |
| C27 | C24 | C25 | H25 | 0.6° | 0.1° |
| N28 | C27 | C24 | C23 | 138.1° | 6.3° |
| N28 | C27 | C24 | C25 | 42.5° | 173.7° |
| C8 | C9 | N10 | H9 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 176.7° | 175.0° |
| C9 | C8 | N11 | C12 | 105.1° | 85.0° |
| C9 | C8 | C7 | N11 | 121.4° | 120.1° |
| C9 | C8 | C7 | H8 | 120.5° | 120.0° |
| C9 | C8 | N11 | H8 | 120.1° | 120.0° |
| C8 | C9 | N10 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | H71C | 62.8° | 55.0° |
| C9 | C8 | C7 | H72C | 56.1° | 65.0° |
| C9 | C8 | N11 | H11 | 74.9° | 95.0° |
| N10 | C9 | C8 | C7 | 33.1° | 120.0° |
| N10 | C9 | C8 | N11 | 152.7° | 0.0° |
| N10 | C9 | C8 | H8 | 87.0° | 120.0° |
| H9 | C9 | C8 | C7 | 146.9° | 60.3° |
| H9 | C9 | C8 | N11 | 27.3° | 179.6° |
| H9 | C9 | C8 | H8 | 93.0° | 59.6° |
| H9 | C9 | N10 | H10 | 0.0° | 0.3° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C26 | 0.2° | 0.1° |
| C23 | C22 | C21 | C3 | 179.1° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C23 | C24 | C25 | H25 | 180.0° | 179.9° |
| C26 | C25 | C24 | H25 | 180.0° | 179.9° |
| C25 | C26 | C21 | C22 | 0.1° | 0.1° |
| C25 | C26 | C21 | H26 | 180.0° | 179.9° |
| C25 | C26 | C21 | C3 | 179.2° | 180.0° |
| C24 | C25 | C26 | C21 | 0.0° | 0.0° |
| C25 | C24 | C23 | H23 | 180.0° | 179.7° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C22 | C21 | C26 | C3 | 179.3° | 180.0° |
| C22 | C21 | C3 | C2 | 32.1° | 179.9° |
| C22 | C21 | C3 | C4 | 148.6° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 179.7° |
| C22 | C21 | C26 | H26 | 179.9° | 180.0° |
| C26 | C21 | C3 | C2 | 148.6° | 0.0° |
| C26 | C21 | C3 | C4 | 30.7° | 179.9° |
| C26 | C21 | C22 | H22 | 179.8° | 180.0° |
| C21 | C26 | C25 | H25 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C1 | C2 | C3 | C21 | 178.8° | 179.9° |
| C2 | C1 | C6 | C7 | 179.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | C21 | 179.3° | 179.9° |
| C3 | C2 | C1 | C6 | 0.3° | 0.0° |
| C3 | C2 | C1 | H1 | 179.6° | 179.9° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C21 | 179.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | H2 | 179.5° | 179.7° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C1 | C6 | C5 | C7 | 179.1° | 180.0° |
| C1 | C6 | C7 | C8 | 89.7° | 89.9° |
| C6 | C1 | C2 | H2 | 179.7° | 179.8° |
| C1 | C6 | C5 | H5 | 179.9° | 179.9° |
| C1 | C6 | C7 | H71C | 149.8° | 150.0° |
| C1 | C6 | C7 | H72C | 30.8° | 30.1° |
| C5 | C6 | C7 | C8 | 89.3° | 90.0° |
| C5 | C6 | C1 | H1 | 179.9° | 180.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C6 | C7 | H71C | 31.2° | 30.0° |
| C5 | C6 | C7 | H72C | 150.1° | 150.0° |
| C3 | C21 | C22 | H22 | 0.9° | 0.0° |
| C3 | C21 | C26 | H26 | 0.8° | 0.0° |
| C21 | C3 | C2 | H2 | 1.2° | 0.2° |
| C21 | C3 | C4 | H4 | 1.1° | 0.1° |
| C6 | C7 | C8 | H71C | 120.5° | 120.0° |
| C6 | C7 | C8 | H72C | 120.5° | 120.0° |
| C6 | C7 | C8 | N11 | 55.3° | 65.0° |
| C6 | C7 | C8 | H8 | 62.8° | 55.0° |
| C7 | C6 | C1 | H1 | 0.9° | 0.1° |
| C7 | C6 | C5 | H5 | 1.0° | 0.1° |
| C6 | C7 | H71C | H72C | 118.4° | 120.0° |
| C14 | C12 | N11 | O13 | 178.2° | 179.9° |
| C12 | C14 | C15 | N19 | 117.4° | 120.0° |
| C12 | C14 | C15 | H14 | 119.6° | 120.0° |
| C12 | C14 | C15 | C16 | 171.7° | 179.2° |
| C12 | C14 | N19 | C18 | 179.9° | 178.2° |
| C12 | C14 | N19 | H14 | 123.1° | 120.0° |
| C14 | C12 | N11 | C8 | 177.3° | 180.0° |
| C14 | C12 | N11 | H11 | 2.7° | 0.0° |
| C12 | C14 | C15 | H151 | 51.2° | 59.2° |
| C12 | C14 | C15 | H152 | 67.7° | 60.9° |
| C12 | C14 | N19 | H19 | 60.0° | 57.6° |
| N11 | C12 | C14 | C15 | 77.3° | 80.0° |
| N11 | C12 | C14 | N19 | 165.5° | 160.0° |
| C12 | N11 | C8 | C7 | 132.2° | 155.0° |
| C12 | N11 | C8 | H11 | 180.0° | 180.0° |
| C12 | N11 | C8 | H8 | 15.0° | 35.0° |
| N11 | C12 | C14 | H14 | 42.0° | 40.0° |
| O13 | C12 | C14 | C15 | 101.1° | 99.9° |
| O13 | C12 | C14 | N19 | 16.2° | 20.1° |
| O13 | C12 | N11 | C8 | 4.5° | 0.0° |
| O13 | C12 | C14 | H14 | 139.6° | 140.1° |
| O13 | C12 | N11 | H11 | 175.5° | 179.9° |
| C18 | C17 | C16 | H171 | 120.3° | 119.9° |
| C18 | C17 | C16 | H172 | 120.3° | 119.9° |
| C18 | C17 | C16 | C15 | 44.4° | 57.6° |
| C17 | C18 | N19 | H181 | 120.1° | 120.0° |
| C17 | C18 | N19 | H182 | 120.1° | 120.0° |
| C17 | C18 | N19 | C14 | 67.2° | 61.8° |
| C18 | C17 | C16 | O20 | 75.6° | 62.2° |
| C18 | C17 | H171 | H172 | 119.0° | 120.1° |
| C17 | C18 | H181 | H182 | 119.7° | 120.0° |
| C18 | C17 | C16 | H16 | 164.0° | 177.6° |
| C17 | C18 | N19 | H19 | 52.7° | 62.3° |
| C17 | C16 | C15 | C14 | 44.1° | 57.6° |
| C17 | C16 | C15 | O20 | 122.1° | 119.9° |
| C17 | C16 | C15 | H16 | 119.6° | 119.9° |
| C16 | C17 | C18 | N19 | 56.1° | 59.2° |
| C17 | C16 | O20 | H16 | 119.5° | 120.2° |
| C16 | C17 | H171 | H172 | 119.1° | 120.1° |
| C16 | C17 | C18 | H181 | 176.2° | 179.2° |
| C16 | C17 | C18 | H182 | 64.0° | 60.9° |
| C17 | C16 | C15 | H151 | 76.4° | 62.3° |
| C17 | C16 | C15 | H152 | 164.6° | 177.6° |
| C17 | C16 | O20 | H20 | 180.0° | 60.0° |
| C14 | C15 | C16 | H151 | 120.5° | 120.0° |
| C14 | C15 | C16 | H152 | 120.5° | 119.9° |
| C15 | C14 | N19 | C18 | 65.5° | 61.8° |
| C15 | C14 | N19 | H14 | 122.5° | 120.0° |
| C14 | C15 | C16 | O20 | 78.0° | 62.2° |
| C14 | C15 | C16 | H16 | 163.7° | 177.5° |
| C14 | C15 | H151 | H152 | 118.3° | 120.1° |
| C15 | C14 | N19 | H19 | 54.4° | 62.3° |
| C16 | C15 | C14 | N19 | 54.4° | 59.2° |
| C15 | C16 | O20 | H16 | 117.5° | 120.2° |
| C16 | C15 | C14 | H14 | 68.7° | 60.8° |
| C15 | C16 | C17 | H171 | 164.7° | 177.6° |
| C15 | C16 | C17 | H172 | 75.9° | 62.3° |
| C16 | C15 | H151 | H152 | 118.4° | 120.1° |
| C15 | C16 | O20 | H20 | 57.0° | 179.7° |
| C18 | N19 | C14 | H19 | 119.9° | 124.1° |
| C18 | N19 | C14 | H14 | 57.0° | 58.2° |
| N19 | C18 | C17 | H171 | 176.4° | 179.1° |
| N19 | C18 | C17 | H172 | 64.2° | 60.8° |
| N19 | C18 | H181 | H182 | 119.7° | 120.0° |
| C14 | N19 | C18 | H181 | 172.7° | 178.2° |
| C14 | N19 | C18 | H182 | 52.9° | 58.3° |
| N19 | C14 | C15 | H151 | 66.2° | 60.7° |
| N19 | C14 | C15 | H152 | 174.9° | 179.1° |
| O20 | C16 | C17 | H171 | 44.6° | 57.7° |
| O20 | C16 | C17 | H172 | 164.0° | 177.8° |
| O20 | C16 | C15 | H151 | 161.5° | 177.8° |
| O20 | C16 | C15 | H152 | 42.5° | 57.7° |
| C7 | C8 | N11 | H8 | 117.3° | 119.9° |
| C8 | C7 | H71C | H72C | 118.4° | 120.0° |
| C7 | C8 | N11 | H11 | 47.8° | 25.0° |
| N11 | C8 | C7 | H71C | 175.8° | 175.0° |
| N11 | C8 | C7 | H72C | 65.3° | 55.1° |
| H8 | C8 | C7 | H71C | 57.7° | 65.0° |
| H8 | C8 | C7 | H72C | 176.7° | 175.0° |
| H8 | C8 | N11 | H11 | 165.0° | 145.0° |
| H23 | C23 | C22 | H22 | 0.1° | 0.2° |
| H25 | C25 | C26 | H26 | 0.0° | 0.1° |
| H2 | C2 | C1 | H1 | 0.3° | 0.3° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| H14 | C14 | C15 | H151 | 170.7° | 179.2° |
| H14 | C14 | C15 | H152 | 51.8° | 59.1° |
| H14 | C14 | N19 | H19 | 176.9° | 177.6° |
| H171 | C17 | C18 | H181 | 63.5° | 60.9° |
| H171 | C17 | C18 | H182 | 56.3° | 59.1° |
| H171 | C17 | C16 | H16 | 75.7° | 62.5° |
| H172 | C17 | C18 | H181 | 55.9° | 59.2° |
| H172 | C17 | C18 | H182 | 175.7° | 179.2° |
| H172 | C17 | C16 | H16 | 43.7° | 57.6° |
| H181 | C18 | N19 | H19 | 67.4° | 57.7° |
| H182 | C18 | N19 | H19 | 172.8° | 177.6° |
| H16 | C16 | C15 | H151 | 43.1° | 57.6° |
| H16 | C16 | C15 | H152 | 75.8° | 62.5° |
| H16 | C16 | O20 | H20 | 60.4° | 60.1° |
