CW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C15 | doub | 1.31Å | 1.27Å | Aromatic |
| N14 | C16 | sing | 1.34Å | 1.43Å | Aromatic |
| C15 | C12 | sing | 1.41Å | 1.49Å | Aromatic |
| C20 | C16 | doub | 1.39Å | 1.33Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.46Å | Aromatic |
| C16 | N17 | sing | 1.37Å | 1.33Å | Aromatic |
| C12 | N25 | sing | 1.40Å | 1.35Å | |
| C12 | C13 | doub | 1.36Å | 1.34Å | Aromatic |
| O27 | C26 | doub | 1.22Å | 1.23Å | |
| N25 | C26 | sing | 1.35Å | 1.33Å | |
| C26 | N11 | sing | 1.35Å | 1.36Å | |
| O9 | C8 | doub | 1.22Å | 1.23Å | |
| N17 | C13 | sing | 1.37Å | 1.33Å | Aromatic |
| N17 | N18 | sing | 1.40Å | 1.35Å | Aromatic |
| CL7 | C3 | sing | 1.74Å | 1.75Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | CL2 | sing | 1.74Å | 1.74Å | |
| C19 | N18 | doub | 1.32Å | 1.28Å | Aromatic |
| N11 | C1 | sing | 1.39Å | 1.41Å | |
| C13 | C22 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C8 | sing | 1.48Å | 1.51Å | |
| C6 | N5 | sing | 1.31Å | 1.34Å | Aromatic |
| C8 | N10 | sing | 1.35Å | 1.37Å | |
| C24 | C22 | sing | 1.53Å | 1.57Å | |
| C22 | O23 | sing | 1.43Å | 1.43Å | |
| N10 | C29 | sing | 1.47Å | 1.45Å | |
| N10 | C32 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.55Å | 1.55Å | |
| O23 | C28 | sing | 1.43Å | 1.44Å | |
| C32 | C31 | sing | 1.54Å | 1.55Å | |
| C30 | C31 | sing | 1.55Å | 1.54Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| N11 | H16 | sing | 0.97Å | 1.00Å | |
| N25 | H17 | sing | 0.97Å | 1.00Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N14 | C16 | 120.2° | 120.9° |
| N14 | C15 | C12 | 117.1° | 120.2° |
| N14 | C15 | H2 | 121.4° | 119.9° |
| N14 | C16 | C20 | 124.2° | 132.5° |
| N14 | C16 | N17 | 121.8° | 120.6° |
| C15 | C12 | N25 | 123.2° | 120.3° |
| C15 | C12 | C13 | 120.5° | 119.3° |
| C12 | C15 | H2 | 121.5° | 119.9° |
| C16 | C20 | C19 | 100.9° | 107.6° |
| C20 | C16 | N17 | 113.9° | 106.9° |
| C16 | C20 | H3 | 129.5° | 126.1° |
| C20 | C19 | CL2 | 123.4° | 125.5° |
| C20 | C19 | N18 | 109.0° | 109.0° |
| C19 | C20 | H3 | 129.5° | 126.2° |
| C16 | N17 | C13 | 120.4° | 119.9° |
| C16 | N17 | N18 | 105.7° | 107.7° |
| N25 | C12 | C13 | 116.3° | 120.3° |
| C12 | N25 | C26 | 127.9° | 120.0° |
| C12 | N25 | H17 | 116.0° | 120.0° |
| C12 | C13 | N17 | 119.8° | 119.0° |
| C12 | C13 | C22 | 117.9° | 120.5° |
| O27 | C26 | N25 | 121.2° | 120.0° |
| O27 | C26 | N11 | 125.1° | 120.0° |
| N25 | C26 | N11 | 113.5° | 120.0° |
| C26 | N25 | H17 | 116.0° | 120.0° |
| C26 | N11 | C1 | 125.9° | 120.0° |
| C26 | N11 | H16 | 117.1° | 120.0° |
| O9 | C8 | C4 | 118.8° | 120.0° |
| O9 | C8 | N10 | 123.9° | 120.0° |
| C13 | N17 | N18 | 133.5° | 132.5° |
| N17 | C13 | C22 | 121.9° | 120.5° |
| N17 | N18 | C19 | 110.3° | 108.8° |
| CL7 | C3 | C2 | 120.1° | 120.4° |
| CL7 | C3 | C4 | 121.1° | 120.4° |
| C3 | C2 | C1 | 119.4° | 118.4° |
| C2 | C3 | C4 | 118.7° | 119.1° |
| C3 | C2 | H1 | 120.3° | 120.8° |
| C2 | C1 | N11 | 125.4° | 120.4° |
| C2 | C1 | C6 | 119.5° | 119.2° |
| C1 | C2 | H1 | 120.3° | 120.7° |
| CL2 | C19 | N18 | 127.6° | 125.5° |
| N11 | C1 | C6 | 115.1° | 120.4° |
| C1 | N11 | H16 | 117.0° | 120.0° |
| C13 | C22 | C24 | 112.3° | 109.5° |
| C13 | C22 | O23 | 111.6° | 109.5° |
| C13 | C22 | H4 | 105.9° | 109.5° |
| C3 | C4 | N5 | 119.0° | 120.7° |
| C3 | C4 | C8 | 124.5° | 119.7° |
| C1 | C6 | N5 | 119.4° | 120.9° |
| C1 | C6 | H15 | 120.3° | 119.6° |
| N5 | C4 | C8 | 115.8° | 119.7° |
| C4 | N5 | C6 | 123.8° | 121.7° |
| C4 | C8 | N10 | 117.3° | 120.0° |
| N5 | C6 | H15 | 120.3° | 119.6° |
| C8 | N10 | C29 | 120.6° | 125.7° |
| C8 | N10 | C32 | 123.0° | 125.7° |
| C24 | C22 | O23 | 113.7° | 109.5° |
| C24 | C22 | H4 | 105.6° | 109.5° |
| C22 | C24 | H5 | 109.5° | 109.5° |
| C22 | C24 | H6 | 109.5° | 109.5° |
| C22 | C24 | H7 | 109.4° | 109.4° |
| C22 | O23 | C28 | 109.7° | 114.0° |
| O23 | C22 | H4 | 107.2° | 109.5° |
| C29 | N10 | C32 | 116.3° | 108.7° |
| N10 | C29 | C30 | 99.0° | 104.8° |
| N10 | C29 | H11 | 112.0° | 110.4° |
| N10 | C29 | H12 | 112.0° | 110.5° |
| N10 | C32 | C31 | 101.3° | 107.3° |
| N10 | C32 | H20 | 111.5° | 109.9° |
| N10 | C32 | H21 | 111.5° | 109.9° |
| C29 | C30 | C31 | 103.9° | 101.6° |
| C30 | C29 | H11 | 112.0° | 110.3° |
| C30 | C29 | H12 | 112.0° | 110.3° |
| C29 | C30 | H13 | 110.8° | 111.0° |
| C29 | C30 | H14 | 110.9° | 111.0° |
| O23 | C28 | H8 | 109.5° | 109.5° |
| O23 | C28 | H9 | 109.5° | 109.5° |
| O23 | C28 | H10 | 109.4° | 109.5° |
| C32 | C31 | C30 | 102.3° | 102.9° |
| C32 | C31 | H18 | 111.2° | 110.8° |
| C32 | C31 | H19 | 111.2° | 110.9° |
| C31 | C32 | H20 | 111.5° | 109.9° |
| C31 | C32 | H21 | 111.5° | 109.9° |
| C31 | C30 | H13 | 110.8° | 111.0° |
| C31 | C30 | H14 | 110.9° | 111.0° |
| C30 | C31 | H18 | 111.3° | 110.7° |
| C30 | C31 | H19 | 111.2° | 110.7° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H5 | C24 | H7 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.4° | 109.5° |
| H8 | C28 | H10 | 109.5° | 109.4° |
| H9 | C28 | H10 | 109.5° | 109.4° |
| H11 | C29 | H12 | 109.5° | 110.4° |
| H13 | C30 | H14 | 109.5° | 111.0° |
| H18 | C31 | H19 | 109.5° | 110.6° |
| H20 | C32 | H21 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C15 | C12 | H2 | 180.0° | 179.9° |
| C15 | N14 | C16 | C20 | 172.1° | 179.9° |
| C15 | N14 | C16 | N17 | 4.9° | 0.4° |
| N14 | C15 | C12 | N25 | 177.4° | 180.0° |
| N14 | C15 | C12 | C13 | 3.6° | 0.3° |
| C16 | N14 | C15 | C12 | 1.7° | 0.1° |
| N14 | C16 | C20 | N17 | 177.2° | 179.5° |
| N14 | C16 | C20 | C19 | 177.9° | 180.0° |
| N14 | C16 | N17 | C13 | 2.7° | 0.4° |
| N14 | C16 | N17 | N18 | 176.0° | 179.9° |
| C16 | N14 | C15 | H2 | 178.3° | 180.0° |
| N14 | C16 | C20 | H3 | 2.2° | 0.4° |
| C15 | C12 | N25 | C13 | 179.1° | 179.7° |
| C15 | C12 | N25 | C26 | 52.6° | 56.7° |
| C15 | C12 | C13 | N17 | 5.8° | 0.3° |
| C15 | C12 | C13 | C22 | 178.9° | 179.7° |
| C15 | C12 | N25 | H17 | 127.4° | 123.3° |
| C16 | C20 | C19 | H3 | 180.0° | 179.5° |
| C20 | C16 | N17 | C13 | 174.6° | 180.0° |
| C20 | C16 | N17 | N18 | 1.3° | 0.3° |
| C16 | C20 | C19 | CL2 | 178.2° | 179.8° |
| C16 | C20 | C19 | N18 | 2.5° | 0.5° |
| C19 | C20 | C16 | N17 | 0.6° | 0.5° |
| C20 | C19 | N18 | N17 | 3.5° | 0.3° |
| C20 | C19 | CL2 | N18 | 179.2° | 179.7° |
| C16 | N17 | C13 | C12 | 2.7° | 0.0° |
| C16 | N17 | C13 | N18 | 171.1° | 179.6° |
| C16 | N17 | N18 | C19 | 3.0° | 0.0° |
| C16 | N17 | C13 | C22 | 175.4° | 180.0° |
| N17 | C16 | C20 | H3 | 179.4° | 180.0° |
| C12 | N25 | C26 | O27 | 4.9° | 5.2° |
| C12 | N25 | C26 | H17 | 180.0° | 180.0° |
| C12 | N25 | C26 | N11 | 179.8° | 174.9° |
| N25 | C12 | C13 | N17 | 175.1° | 180.0° |
| N25 | C12 | C13 | C22 | 2.0° | 0.0° |
| N25 | C12 | C15 | H2 | 2.6° | 0.0° |
| C13 | C12 | N25 | C26 | 128.3° | 123.1° |
| C12 | C13 | N17 | C22 | 172.7° | 180.0° |
| C12 | C13 | N17 | N18 | 168.4° | 179.6° |
| C12 | C13 | C22 | C24 | 99.5° | 115.0° |
| C12 | C13 | C22 | O23 | 131.5° | 125.0° |
| C13 | C12 | C15 | H2 | 176.4° | 179.7° |
| C12 | C13 | C22 | H4 | 15.2° | 5.0° |
| C13 | C12 | N25 | H17 | 51.7° | 56.9° |
| O27 | C26 | N25 | N11 | 175.3° | 180.0° |
| O27 | C26 | N11 | C1 | 3.0° | 4.7° |
| O27 | C26 | N11 | H16 | 177.0° | 175.4° |
| O27 | C26 | N25 | H17 | 175.1° | 174.8° |
| N25 | C26 | N11 | C1 | 178.1° | 175.3° |
| N25 | C26 | N11 | H16 | 1.9° | 4.6° |
| C26 | N11 | C1 | C2 | 0.4° | 35.0° |
| C26 | N11 | C1 | H16 | 180.0° | 179.9° |
| C26 | N11 | C1 | C6 | 178.5° | 145.3° |
| N11 | C26 | N25 | H17 | 0.2° | 5.2° |
| O9 | C8 | C4 | C3 | 82.9° | 0.0° |
| O9 | C8 | C4 | N5 | 106.2° | 180.0° |
| O9 | C8 | C4 | N10 | 178.5° | 180.0° |
| O9 | C8 | N10 | C29 | 1.5° | 0.0° |
| O9 | C8 | N10 | C32 | 179.3° | 180.0° |
| C13 | N17 | N18 | C19 | 175.0° | 179.7° |
| N17 | C13 | C22 | C24 | 87.6° | 65.0° |
| N17 | C13 | C22 | O23 | 41.3° | 55.0° |
| N17 | C13 | C22 | H4 | 157.6° | 175.0° |
| N17 | N18 | C19 | CL2 | 177.2° | 180.0° |
| N18 | N17 | C13 | C22 | 4.4° | 0.4° |
| CL7 | C3 | C2 | C4 | 175.4° | 179.9° |
| CL7 | C3 | C2 | C1 | 178.5° | 180.0° |
| CL7 | C3 | C4 | N5 | 179.8° | 180.0° |
| CL7 | C3 | C4 | C8 | 9.2° | 0.0° |
| CL7 | C3 | C2 | H1 | 1.5° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | N11 | 178.8° | 179.7° |
| C3 | C2 | C1 | C6 | 0.9° | 0.0° |
| C2 | C3 | C4 | N5 | 4.8° | 0.1° |
| C2 | C3 | C4 | C8 | 175.5° | 179.9° |
| C2 | C1 | N11 | C6 | 178.0° | 179.7° |
| C1 | C2 | C3 | C4 | 3.1° | 0.1° |
| C2 | C1 | C6 | N5 | 0.3° | 0.0° |
| C2 | C1 | C6 | H15 | 179.7° | 180.0° |
| C2 | C1 | N11 | H16 | 179.6° | 145.1° |
| CL2 | C19 | C20 | H3 | 1.8° | 0.3° |
| N18 | C19 | C20 | H3 | 177.5° | 180.0° |
| N11 | C1 | C6 | N5 | 178.4° | 179.7° |
| N11 | C1 | C2 | H1 | 1.2° | 0.3° |
| N11 | C1 | C6 | H15 | 1.6° | 0.3° |
| C13 | C22 | C24 | O23 | 127.8° | 120.0° |
| C13 | C22 | C24 | H4 | 115.0° | 120.0° |
| C13 | C22 | O23 | H4 | 115.6° | 120.0° |
| C13 | C22 | O23 | C28 | 90.9° | 90.0° |
| C13 | C22 | C24 | H5 | 180.0° | 60.0° |
| C13 | C22 | C24 | H6 | 60.0° | 180.0° |
| C13 | C22 | C24 | H7 | 60.0° | 60.0° |
| C3 | C4 | N5 | C8 | 171.5° | 180.0° |
| C3 | C4 | N5 | C6 | 4.5° | 0.1° |
| C3 | C4 | C8 | N10 | 98.7° | 180.0° |
| C4 | C3 | C2 | H1 | 176.9° | 180.0° |
| C1 | C6 | N5 | C4 | 2.2° | 0.0° |
| C1 | C6 | N5 | H15 | 180.0° | 180.0° |
| C6 | C1 | C2 | H1 | 179.1° | 180.0° |
| C6 | C1 | N11 | H16 | 1.6° | 34.6° |
| N5 | C4 | C8 | N10 | 72.3° | 0.0° |
| C4 | N5 | C6 | H15 | 177.8° | 180.0° |
| C8 | C4 | N5 | C6 | 176.0° | 180.0° |
| C4 | C8 | N10 | C29 | 176.8° | 180.0° |
| C4 | C8 | N10 | C32 | 2.3° | 0.1° |
| C8 | N10 | C29 | C32 | 179.2° | 180.0° |
| C8 | N10 | C29 | C30 | 159.8° | 155.8° |
| C8 | N10 | C32 | C31 | 175.3° | 178.9° |
| C8 | N10 | C29 | H11 | 41.5° | 85.4° |
| C8 | N10 | C29 | H12 | 82.0° | 37.0° |
| C8 | N10 | C32 | H20 | 56.6° | 61.7° |
| C8 | N10 | C32 | H21 | 66.1° | 59.4° |
| C24 | C22 | O23 | H4 | 116.3° | 120.0° |
| C24 | C22 | O23 | C28 | 140.9° | 150.0° |
| C22 | C24 | H5 | H6 | 120.0° | 120.0° |
| C22 | C24 | H5 | H7 | 120.0° | 119.9° |
| C22 | C24 | H6 | H7 | 120.0° | 119.9° |
| O23 | C22 | C24 | H5 | 52.2° | 180.0° |
| O23 | C22 | C24 | H6 | 67.8° | 59.9° |
| O23 | C22 | C24 | H7 | 172.2° | 60.0° |
| C22 | O23 | C28 | H8 | 180.0° | 179.9° |
| C22 | O23 | C28 | H9 | 60.0° | 60.0° |
| C22 | O23 | C28 | H10 | 60.0° | 60.0° |
| N10 | C29 | C30 | H11 | 118.3° | 118.8° |
| N10 | C29 | C30 | H12 | 118.3° | 119.0° |
| C29 | N10 | C32 | C31 | 5.5° | 1.1° |
| N10 | C29 | C30 | C31 | 36.6° | 37.0° |
| N10 | C29 | H11 | H12 | 124.9° | 122.4° |
| N10 | C29 | C30 | H13 | 82.5° | 81.0° |
| N10 | C29 | C30 | H14 | 155.7° | 155.0° |
| C29 | N10 | C32 | H20 | 124.2° | 118.4° |
| C29 | N10 | C32 | H21 | 113.2° | 120.5° |
| C32 | N10 | C29 | C30 | 19.5° | 24.1° |
| N10 | C32 | C31 | H20 | 118.7° | 119.4° |
| N10 | C32 | C31 | H21 | 118.7° | 119.5° |
| N10 | C32 | C31 | C30 | 28.3° | 22.2° |
| C32 | N10 | C29 | H11 | 137.8° | 94.7° |
| C32 | N10 | C29 | H12 | 98.8° | 143.0° |
| N10 | C32 | C31 | H18 | 90.5° | 140.6° |
| N10 | C32 | C31 | H19 | 147.2° | 96.2° |
| N10 | C32 | H20 | H21 | 123.8° | 121.1° |
| C29 | C30 | C31 | C32 | 41.5° | 35.5° |
| C29 | C30 | C31 | H13 | 119.1° | 118.1° |
| C29 | C30 | C31 | H14 | 119.1° | 118.1° |
| C30 | C29 | H11 | H12 | 124.9° | 122.2° |
| C29 | C30 | H13 | H14 | 122.6° | 123.9° |
| C29 | C30 | C31 | H18 | 77.4° | 153.9° |
| C29 | C30 | C31 | H19 | 160.3° | 83.0° |
| C28 | O23 | C22 | H4 | 24.6° | 30.0° |
| O23 | C28 | H8 | H9 | 120.0° | 120.1° |
| O23 | C28 | H8 | H10 | 120.0° | 120.0° |
| O23 | C28 | H9 | H10 | 120.0° | 120.0° |
| C32 | C31 | C30 | H18 | 118.8° | 118.4° |
| C32 | C31 | C30 | H19 | 118.8° | 118.5° |
| C32 | C31 | C30 | H13 | 77.6° | 82.6° |
| C32 | C31 | C30 | H14 | 160.6° | 153.5° |
| C32 | C31 | H18 | H19 | 123.3° | 123.4° |
| C31 | C32 | H20 | H21 | 123.8° | 121.1° |
| C31 | C30 | C29 | H11 | 154.9° | 81.8° |
| C31 | C30 | C29 | H12 | 81.7° | 155.9° |
| C31 | C30 | H13 | H14 | 122.6° | 123.9° |
| C30 | C31 | H18 | H19 | 123.4° | 123.1° |
| C30 | C31 | C32 | H20 | 147.0° | 141.6° |
| C30 | C31 | C32 | H21 | 90.3° | 97.3° |
| H4 | C22 | C24 | H5 | 65.0° | 60.0° |
| H4 | C22 | C24 | H6 | 175.0° | 60.0° |
| H4 | C22 | C24 | H7 | 55.0° | 180.0° |
| H5 | C24 | H6 | H7 | 120.0° | 120.0° |
| H8 | C28 | H9 | H10 | 120.0° | 119.9° |
| H11 | C29 | C30 | H13 | 35.7° | 160.1° |
| H11 | C29 | C30 | H14 | 86.0° | 36.2° |
| H12 | C29 | C30 | H13 | 159.2° | 37.9° |
| H12 | C29 | C30 | H14 | 37.4° | 86.0° |
| H13 | C30 | C31 | H18 | 163.5° | 35.8° |
| H13 | C30 | C31 | H19 | 41.2° | 158.9° |
| H14 | C30 | C31 | H18 | 41.8° | 88.0° |
| H14 | C30 | C31 | H19 | 80.6° | 35.0° |
| H18 | C31 | C32 | H20 | 28.2° | 100.0° |
| H18 | C31 | C32 | H21 | 150.8° | 21.1° |
| H19 | C31 | C32 | H20 | 94.1° | 23.2° |
| H19 | C31 | C32 | H21 | 28.5° | 144.3° |
