WAP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.53Å | 1.48Å | |
| C23 | C22 | sing | 1.53Å | 1.48Å | |
| C24 | C22 | sing | 1.53Å | 1.48Å | |
| C22 | N21 | sing | 1.46Å | 1.47Å | |
| N21 | C20 | sing | 1.38Å | 1.36Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.37Å | 1.37Å | Aromatic |
| C19 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| N7 | C8 | sing | 1.40Å | 1.42Å | |
| N7 | C6 | sing | 1.38Å | 1.39Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | N25 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N5 | doub | 1.33Å | 1.32Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| N25 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| N25 | N26 | sing | 1.40Å | 1.37Å | Aromatic |
| C18 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | N13 | sing | 1.40Å | 1.43Å | |
| C4 | C3 | doub | 1.41Å | 1.39Å | Aromatic |
| N26 | C27 | doub | 1.31Å | 1.32Å | Aromatic |
| C27 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.43Å | 1.42Å | |
| N13 | C14 | sing | 1.36Å | 1.36Å | Aromatic |
| N13 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C14 | N15 | doub | 1.31Å | 1.31Å | Aromatic |
| C17 | N16 | doub | 1.31Å | 1.31Å | Aromatic |
| C2 | N1 | trip | 1.14Å | 1.14Å | |
| N15 | N16 | sing | 1.29Å | 1.39Å | Aromatic |
| N7 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| N21 | H9 | sing | 0.97Å | 1.00Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 60.0° | 60.0° |
| C23 | C24 | C22 | 59.9° | 60.0° |
| C24 | C23 | H11 | 120.0° | 117.6° |
| C24 | C23 | H12 | 120.0° | 117.5° |
| C23 | C24 | H13 | 120.0° | 117.5° |
| C23 | C24 | H14 | 120.0° | 117.5° |
| C23 | C22 | C24 | 60.0° | 60.0° |
| C23 | C22 | N21 | 119.1° | 117.5° |
| C23 | C22 | H10 | 115.7° | 117.5° |
| C22 | C23 | H11 | 120.0° | 117.5° |
| C22 | C23 | H12 | 120.0° | 117.5° |
| C24 | C22 | N21 | 118.9° | 117.5° |
| C24 | C22 | H10 | 115.7° | 117.5° |
| C22 | C24 | H13 | 120.0° | 117.5° |
| C22 | C24 | H14 | 120.0° | 117.5° |
| C22 | N21 | C20 | 122.4° | 120.0° |
| C22 | N21 | H9 | 106.2° | 120.0° |
| N21 | C22 | H10 | 115.9° | 115.6° |
| N21 | C20 | C19 | 125.7° | 120.4° |
| N21 | C20 | N25 | 119.7° | 120.5° |
| C20 | N21 | H9 | 106.1° | 119.9° |
| C10 | C9 | C8 | 119.9° | 120.0° |
| C9 | C10 | C11 | 120.8° | 120.2° |
| C10 | C9 | H2 | 120.1° | 120.0° |
| C9 | C10 | H3 | 119.6° | 119.9° |
| C9 | C8 | N7 | 117.6° | 120.1° |
| C9 | C8 | C18 | 119.5° | 119.9° |
| C8 | C9 | H2 | 120.1° | 120.0° |
| C20 | C19 | C6 | 121.8° | 119.2° |
| C19 | C20 | N25 | 114.0° | 119.1° |
| C20 | C19 | H8 | 119.1° | 120.4° |
| C19 | C6 | N7 | 119.8° | 120.0° |
| C19 | C6 | N5 | 122.4° | 120.1° |
| C6 | C19 | H8 | 119.1° | 120.4° |
| C8 | N7 | C6 | 133.2° | 120.0° |
| N7 | C8 | C18 | 122.9° | 120.0° |
| C8 | N7 | H1 | 113.4° | 120.0° |
| N7 | C6 | N5 | 117.9° | 120.0° |
| C6 | N7 | H1 | 113.4° | 120.0° |
| C10 | C11 | C12 | 119.6° | 120.1° |
| C11 | C10 | H3 | 119.6° | 120.0° |
| C10 | C11 | H4 | 120.2° | 120.0° |
| C20 | N25 | C4 | 122.5° | 119.8° |
| C20 | N25 | N26 | 125.1° | 132.1° |
| C8 | C18 | C12 | 120.5° | 119.8° |
| C8 | C18 | H7 | 119.8° | 120.1° |
| C6 | N5 | C4 | 116.6° | 121.0° |
| C11 | C12 | C18 | 119.7° | 120.0° |
| C11 | C12 | N13 | 120.2° | 120.0° |
| C12 | C11 | H4 | 120.2° | 120.0° |
| C4 | N25 | N26 | 112.3° | 108.1° |
| N25 | C4 | N5 | 122.7° | 120.9° |
| N25 | C4 | C3 | 105.4° | 106.7° |
| N25 | N26 | C27 | 103.9° | 109.6° |
| C18 | C12 | N13 | 119.8° | 120.0° |
| C12 | C18 | H7 | 119.7° | 120.1° |
| N5 | C4 | C3 | 131.9° | 132.4° |
| C12 | N13 | C14 | 127.9° | 127.1° |
| C12 | N13 | C17 | 127.7° | 127.1° |
| C4 | C3 | C27 | 105.3° | 106.9° |
| C4 | C3 | C2 | 125.8° | 126.6° |
| N26 | C27 | C3 | 113.0° | 108.7° |
| N26 | C27 | H15 | 123.5° | 125.6° |
| C27 | C3 | C2 | 128.8° | 126.5° |
| C3 | C27 | H15 | 123.5° | 125.7° |
| C3 | C2 | N1 | 175.8° | 180.0° |
| C14 | N13 | C17 | 104.3° | 105.8° |
| N13 | C14 | N15 | 110.9° | 107.2° |
| N13 | C14 | H5 | 124.6° | 126.4° |
| N13 | C17 | N16 | 110.9° | 107.2° |
| N13 | C17 | H6 | 124.6° | 126.4° |
| C14 | N15 | N16 | 106.9° | 109.9° |
| N15 | C14 | H5 | 124.5° | 126.4° |
| C17 | N16 | N15 | 107.0° | 109.9° |
| N16 | C17 | H6 | 124.6° | 126.4° |
| H11 | C23 | H12 | 109.5° | 115.5° |
| H13 | C24 | H14 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H11 | 109.5° | 107.5° |
| C24 | C23 | C22 | H12 | 109.5° | 107.5° |
| C23 | C24 | C22 | H13 | 109.4° | 107.5° |
| C23 | C24 | C22 | H14 | 109.4° | 107.5° |
| C24 | C23 | C22 | N21 | 108.5° | 107.5° |
| C24 | C23 | C22 | H10 | 106.1° | 107.5° |
| C24 | C23 | H11 | H12 | 144.7° | 145.7° |
| C23 | C24 | H13 | H14 | 144.7° | 145.6° |
| C23 | C22 | N21 | H10 | 145.3° | 145.7° |
| C23 | C22 | N21 | C20 | 99.0° | 155.1° |
| C23 | C22 | N21 | H9 | 22.8° | 24.8° |
| C22 | C23 | H11 | H12 | 144.7° | 145.6° |
| C24 | C22 | N21 | H10 | 144.9° | 145.7° |
| C24 | C22 | N21 | C20 | 168.8° | 136.3° |
| C24 | C22 | N21 | H9 | 47.0° | 43.8° |
| C22 | C24 | H13 | H14 | 144.8° | 145.7° |
| C22 | N21 | C20 | H9 | 121.8° | 179.9° |
| C22 | N21 | C20 | C19 | 10.9° | 0.0° |
| C22 | N21 | C20 | N25 | 159.9° | 180.0° |
| N21 | C22 | C23 | H11 | 142.0° | 0.1° |
| N21 | C22 | C23 | H12 | 1.0° | 145.0° |
| N21 | C22 | C24 | H13 | 0.5° | 145.0° |
| N21 | C22 | C24 | H14 | 141.7° | 0.0° |
| N21 | C20 | C19 | N25 | 171.2° | 180.0° |
| N21 | C20 | C19 | C6 | 171.5° | 180.0° |
| N21 | C20 | N25 | C4 | 172.0° | 180.0° |
| N21 | C20 | N25 | N26 | 5.3° | 0.0° |
| N21 | C20 | C19 | H8 | 8.5° | 0.0° |
| C20 | N21 | C22 | H10 | 46.3° | 9.4° |
| C10 | C9 | C8 | H2 | 180.0° | 180.0° |
| C10 | C9 | C8 | N7 | 179.2° | 180.0° |
| C9 | C10 | C11 | H3 | 180.0° | 180.0° |
| C10 | C9 | C8 | C18 | 0.0° | 0.3° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C9 | C10 | C11 | H4 | 180.0° | 179.9° |
| C9 | C8 | N7 | C18 | 179.2° | 179.7° |
| C9 | C8 | N7 | C6 | 178.3° | 37.5° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C18 | C12 | 0.2° | 0.6° |
| C9 | C8 | N7 | H1 | 1.8° | 142.6° |
| C8 | C9 | C10 | H3 | 179.9° | 180.0° |
| C9 | C8 | C18 | H7 | 179.8° | 179.7° |
| C20 | C19 | C6 | H8 | 180.0° | 180.0° |
| C20 | C19 | C6 | N7 | 179.8° | 180.0° |
| C20 | C19 | C6 | N5 | 0.1° | 0.0° |
| C19 | C20 | N25 | C4 | 0.2° | 0.0° |
| C19 | C20 | N25 | N26 | 177.1° | 180.0° |
| C19 | C20 | N21 | H9 | 110.9° | 180.0° |
| C19 | C6 | N7 | C8 | 179.3° | 174.4° |
| C19 | C6 | N7 | N5 | 179.7° | 179.9° |
| C6 | C19 | C20 | N25 | 0.3° | 0.0° |
| C19 | C6 | N5 | C4 | 0.1° | 0.1° |
| C19 | C6 | N7 | H1 | 0.7° | 5.7° |
| C8 | N7 | C6 | H1 | 180.0° | 179.9° |
| C8 | N7 | C6 | N5 | 1.0° | 5.6° |
| N7 | C8 | C18 | C12 | 179.4° | 179.8° |
| N7 | C8 | C9 | H2 | 0.8° | 0.1° |
| N7 | C8 | C18 | H7 | 0.6° | 0.0° |
| C6 | N7 | C8 | C18 | 2.5° | 142.9° |
| N7 | C6 | N5 | C4 | 179.5° | 180.0° |
| N7 | C6 | C19 | H8 | 0.2° | 0.1° |
| C10 | C11 | C12 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | C18 | 0.3° | 0.4° |
| C10 | C11 | C12 | N13 | 173.8° | 180.0° |
| C11 | C10 | C9 | H2 | 179.9° | 180.0° |
| C20 | N25 | C4 | N26 | 177.6° | 180.0° |
| C20 | N25 | C4 | N5 | 0.1° | 0.1° |
| C20 | N25 | C4 | C3 | 177.4° | 180.0° |
| C20 | N25 | N26 | C27 | 177.4° | 179.7° |
| N25 | C20 | C19 | H8 | 179.7° | 180.0° |
| N25 | C20 | N21 | H9 | 78.3° | 0.0° |
| C8 | C18 | C12 | C11 | 0.4° | 0.6° |
| C8 | C18 | C12 | H7 | 180.0° | 179.7° |
| C8 | C18 | C12 | N13 | 173.7° | 179.8° |
| C18 | C8 | N7 | H1 | 177.5° | 37.1° |
| C18 | C8 | C9 | H2 | 180.0° | 179.7° |
| C6 | N5 | C4 | N25 | 0.2° | 0.1° |
| C6 | N5 | C4 | C3 | 176.5° | 180.0° |
| N5 | C6 | N7 | H1 | 179.0° | 174.4° |
| N5 | C6 | C19 | H8 | 179.9° | 180.0° |
| C11 | C12 | C18 | N13 | 174.1° | 179.6° |
| C11 | C12 | N13 | C14 | 24.1° | 0.1° |
| C11 | C12 | N13 | C17 | 160.7° | 179.7° |
| C12 | C11 | C10 | H3 | 179.9° | 180.0° |
| C11 | C12 | C18 | H7 | 179.7° | 179.7° |
| N25 | C4 | N5 | C3 | 176.7° | 179.9° |
| C4 | N25 | N26 | C27 | 0.1° | 0.3° |
| N25 | C4 | C3 | C27 | 0.2° | 0.2° |
| N25 | C4 | C3 | C2 | 179.8° | 180.0° |
| N26 | N25 | C4 | N5 | 177.6° | 179.9° |
| N26 | N25 | C4 | C3 | 0.2° | 0.0° |
| N25 | N26 | C27 | C3 | 0.1° | 0.4° |
| N25 | N26 | C27 | H15 | 179.9° | 180.0° |
| C18 | C12 | N13 | C14 | 161.8° | 179.7° |
| C18 | C12 | N13 | C17 | 13.4° | 0.0° |
| C18 | C12 | C11 | H4 | 179.7° | 179.8° |
| N5 | C4 | C3 | C27 | 177.3° | 179.7° |
| N5 | C4 | C3 | C2 | 2.7° | 0.1° |
| C12 | N13 | C14 | C17 | 176.1° | 179.8° |
| C12 | N13 | C14 | N15 | 176.0° | 180.0° |
| C12 | N13 | C17 | N16 | 176.0° | 179.9° |
| N13 | C12 | C11 | H4 | 6.2° | 0.2° |
| C12 | N13 | C14 | H5 | 4.1° | 0.0° |
| C12 | N13 | C17 | H6 | 4.1° | 0.1° |
| N13 | C12 | C18 | H7 | 6.3° | 0.0° |
| C4 | C3 | C27 | N26 | 0.2° | 0.4° |
| C4 | C3 | C27 | C2 | 180.0° | 179.8° |
| C4 | C3 | C2 | N1 | 9.6° | 38.7° |
| C4 | C3 | C27 | H15 | 179.8° | 179.9° |
| N26 | C27 | C3 | H15 | 180.0° | 179.5° |
| N26 | C27 | C3 | C2 | 179.8° | 179.8° |
| C27 | C3 | C2 | N1 | 170.4° | 141.5° |
| C2 | C3 | C27 | H15 | 0.2° | 0.3° |
| N13 | C14 | N15 | H5 | 180.0° | 180.0° |
| C14 | N13 | C17 | N16 | 0.1° | 0.3° |
| N13 | C14 | N15 | N16 | 0.1° | 0.0° |
| C14 | N13 | C17 | H6 | 179.8° | 179.7° |
| C17 | N13 | C14 | N15 | 0.1° | 0.2° |
| N13 | C17 | N16 | H6 | 180.0° | 179.9° |
| N13 | C17 | N16 | N15 | 0.1° | 0.3° |
| C17 | N13 | C14 | H5 | 179.9° | 179.8° |
| C14 | N15 | N16 | C17 | 0.0° | 0.2° |
| N16 | N15 | C14 | H5 | 179.9° | 180.0° |
| N15 | N16 | C17 | H6 | 179.9° | 179.7° |
| H2 | C9 | C10 | H3 | 0.1° | 0.0° |
| H3 | C10 | C11 | H4 | 0.1° | 0.1° |
| H9 | N21 | C22 | H10 | 168.1° | 170.6° |
| H10 | C22 | C23 | H11 | 3.4° | 145.0° |
| H10 | C22 | C23 | H12 | 144.4° | 0.1° |
| H10 | C22 | C24 | H13 | 144.4° | 0.0° |
| H10 | C22 | C24 | H14 | 3.3° | 145.0° |
| H11 | C23 | C24 | H13 | 141.1° | 145.0° |
| H11 | C23 | C24 | H14 | 0.0° | 0.0° |
| H12 | C23 | C24 | H13 | 0.0° | 0.1° |
| H12 | C23 | C24 | H14 | 141.0° | 145.0° |
