J2W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N32 | C28 | doub | 1.30Å | 1.31Å | |
| C28 | N29 | sing | 1.38Å | 1.34Å | |
| C28 | C23 | sing | 1.48Å | 1.48Å | |
| C21 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | N16 | sing | 1.40Å | 1.42Å | |
| N16 | C14 | sing | 1.35Å | 1.35Å | |
| O35 | C34 | sing | 1.36Å | 1.36Å | |
| C14 | O15 | doub | 1.22Å | 1.24Å | |
| C14 | C13 | sing | 1.47Å | 1.51Å | |
| C34 | C13 | doub | 1.40Å | 1.44Å | Aromatic |
| C34 | C06 | sing | 1.39Å | 1.42Å | Aromatic |
| O05 | C01 | sing | 1.43Å | 1.43Å | |
| O05 | C06 | sing | 1.36Å | 1.37Å | |
| C13 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| N16 | H10 | sing | 0.97Å | 1.00Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| N29 | H12 | sing | 0.97Å | 1.00Å | |
| N29 | H13 | sing | 0.97Å | 1.00Å | |
| N32 | H14 | sing | 0.97Å | 1.00Å | |
| O35 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N32 | C28 | N29 | 119.4° | 120.0° |
| N32 | C28 | C23 | 122.7° | 120.0° |
| C28 | N32 | H14 | 112.0° | 120.0° |
| N29 | C28 | C23 | 117.9° | 120.0° |
| C28 | N29 | H12 | 120.0° | 120.0° |
| C28 | N29 | H13 | 120.0° | 120.0° |
| C28 | C23 | C21 | 121.3° | 120.1° |
| C28 | C23 | C24 | 119.2° | 120.1° |
| C23 | C21 | C19 | 120.2° | 120.0° |
| C21 | C23 | C24 | 119.2° | 119.9° |
| C23 | C21 | H1 | 119.9° | 120.0° |
| C21 | C19 | C18 | 120.7° | 120.1° |
| C19 | C21 | H1 | 119.9° | 120.0° |
| C21 | C19 | H11 | 119.6° | 120.0° |
| C23 | C24 | C26 | 120.8° | 119.9° |
| C23 | C24 | H2 | 119.6° | 120.0° |
| C19 | C18 | C26 | 119.2° | 120.1° |
| C19 | C18 | N16 | 117.6° | 119.9° |
| C18 | C19 | H11 | 119.7° | 120.0° |
| C24 | C26 | C18 | 119.7° | 120.1° |
| C26 | C24 | H2 | 119.6° | 120.0° |
| C24 | C26 | H3 | 120.1° | 120.0° |
| C26 | C18 | N16 | 123.2° | 120.0° |
| C18 | C26 | H3 | 120.1° | 120.0° |
| C18 | N16 | C14 | 127.0° | 120.0° |
| C18 | N16 | H10 | 116.5° | 119.9° |
| N16 | C14 | O15 | 123.7° | 120.0° |
| N16 | C14 | C13 | 117.8° | 120.0° |
| C14 | N16 | H10 | 116.4° | 120.0° |
| O35 | C34 | C13 | 121.3° | 120.1° |
| O35 | C34 | C06 | 118.6° | 120.2° |
| C34 | O35 | H15 | 109.5° | 114.0° |
| O15 | C14 | C13 | 118.5° | 120.0° |
| C14 | C13 | C34 | 122.5° | 120.2° |
| C14 | C13 | C11 | 118.8° | 120.2° |
| C13 | C34 | C06 | 120.1° | 119.7° |
| C34 | C13 | C11 | 118.2° | 119.6° |
| C34 | C06 | O05 | 114.8° | 120.0° |
| C34 | C06 | C07 | 120.0° | 120.0° |
| C01 | O05 | C06 | 118.2° | 117.0° |
| O05 | C01 | H4 | 109.5° | 109.5° |
| O05 | C01 | H5 | 109.4° | 109.4° |
| O05 | C01 | H6 | 109.5° | 109.5° |
| O05 | C06 | C07 | 125.2° | 120.0° |
| C13 | C11 | C09 | 120.8° | 120.0° |
| C13 | C11 | H9 | 119.6° | 120.0° |
| C06 | C07 | C09 | 119.7° | 120.3° |
| C06 | C07 | H7 | 120.2° | 119.8° |
| C11 | C09 | C07 | 121.0° | 120.4° |
| C11 | C09 | H8 | 119.5° | 119.8° |
| C09 | C11 | H9 | 119.6° | 120.0° |
| C09 | C07 | H7 | 120.2° | 119.9° |
| C07 | C09 | H8 | 119.5° | 119.8° |
| H4 | C01 | H5 | 109.5° | 109.4° |
| H4 | C01 | H6 | 109.4° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H12 | N29 | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N32 | C28 | N29 | C23 | 178.3° | 179.9° |
| N32 | C28 | C23 | C21 | 25.8° | 0.1° |
| N32 | C28 | C23 | C24 | 160.4° | 180.0° |
| N32 | C28 | N29 | H12 | 178.3° | 180.0° |
| N32 | C28 | N29 | H13 | 1.7° | 0.1° |
| N29 | C28 | C23 | C21 | 152.4° | 180.0° |
| N29 | C28 | C23 | C24 | 21.3° | 0.1° |
| C28 | N29 | H12 | H13 | 180.0° | 180.0° |
| N29 | C28 | N32 | H14 | 178.2° | 180.0° |
| C28 | C23 | C21 | C24 | 173.7° | 179.9° |
| C28 | C23 | C21 | C19 | 178.1° | 179.9° |
| C28 | C23 | C24 | C26 | 178.7° | 179.9° |
| C28 | C23 | C21 | H1 | 1.9° | 0.2° |
| C28 | C23 | C24 | H2 | 1.2° | 0.1° |
| C23 | C28 | N29 | H12 | 0.0° | 0.1° |
| C23 | C28 | N29 | H13 | 180.0° | 180.0° |
| C23 | C28 | N32 | H14 | 0.0° | 0.1° |
| C23 | C21 | C19 | H1 | 180.0° | 179.7° |
| C23 | C21 | C19 | C18 | 2.7° | 0.0° |
| C21 | C23 | C24 | C26 | 4.9° | 0.0° |
| C21 | C23 | C24 | H2 | 175.1° | 180.0° |
| C23 | C21 | C19 | H11 | 177.3° | 179.9° |
| C19 | C21 | C23 | C24 | 4.4° | 0.0° |
| C21 | C19 | C18 | H11 | 180.0° | 179.9° |
| C21 | C19 | C18 | C26 | 1.5° | 0.0° |
| C21 | C19 | C18 | N16 | 178.2° | 179.9° |
| C23 | C24 | C26 | H2 | 180.0° | 180.0° |
| C23 | C24 | C26 | C18 | 3.7° | 0.0° |
| C24 | C23 | C21 | H1 | 175.6° | 179.7° |
| C23 | C24 | C26 | H3 | 176.4° | 180.0° |
| C19 | C18 | C26 | C24 | 1.9° | 0.0° |
| C19 | C18 | C26 | N16 | 179.7° | 179.9° |
| C19 | C18 | N16 | C14 | 159.2° | 144.8° |
| C18 | C19 | C21 | H1 | 177.3° | 179.7° |
| C19 | C18 | C26 | H3 | 178.1° | 180.0° |
| C19 | C18 | N16 | H10 | 20.8° | 35.2° |
| C24 | C26 | C18 | H3 | 180.0° | 180.0° |
| C24 | C26 | C18 | N16 | 177.8° | 179.9° |
| C26 | C18 | N16 | C14 | 20.5° | 35.1° |
| C18 | C26 | C24 | H2 | 176.3° | 180.0° |
| C26 | C18 | N16 | H10 | 159.5° | 144.9° |
| C26 | C18 | C19 | H11 | 178.5° | 179.9° |
| C18 | N16 | C14 | H10 | 180.0° | 180.0° |
| C18 | N16 | C14 | O15 | 0.0° | 4.6° |
| C18 | N16 | C14 | C13 | 176.8° | 175.4° |
| N16 | C18 | C26 | H3 | 2.2° | 0.1° |
| N16 | C18 | C19 | H11 | 1.8° | 0.0° |
| N16 | C14 | O15 | C13 | 176.9° | 180.0° |
| N16 | C14 | C13 | C34 | 4.3° | 179.7° |
| N16 | C14 | C13 | C11 | 176.5° | 0.1° |
| O35 | C34 | C13 | C14 | 5.7° | 0.2° |
| O35 | C34 | C13 | C06 | 179.5° | 180.0° |
| O35 | C34 | C06 | O05 | 1.4° | 0.0° |
| O35 | C34 | C13 | C11 | 177.9° | 180.0° |
| O35 | C34 | C06 | C07 | 178.6° | 180.0° |
| O15 | C14 | C13 | C34 | 172.7° | 0.3° |
| O15 | C14 | C13 | C11 | 0.6° | 180.0° |
| O15 | C14 | N16 | H10 | 180.0° | 175.4° |
| C14 | C13 | C34 | C11 | 172.2° | 179.8° |
| C14 | C13 | C34 | C06 | 174.8° | 179.7° |
| C14 | C13 | C11 | C09 | 176.2° | 180.0° |
| C14 | C13 | C11 | H9 | 3.8° | 0.1° |
| C13 | C14 | N16 | H10 | 3.2° | 4.6° |
| C13 | C34 | C06 | O05 | 178.1° | 179.9° |
| C13 | C34 | C06 | C07 | 0.9° | 0.0° |
| C34 | C13 | C11 | C09 | 3.7° | 0.2° |
| C34 | C13 | C11 | H9 | 176.3° | 179.7° |
| C13 | C34 | O35 | H15 | 180.0° | 90.0° |
| C34 | C06 | O05 | C01 | 170.9° | 180.0° |
| C34 | C06 | O05 | C07 | 177.1° | 180.0° |
| C06 | C34 | C13 | C11 | 2.6° | 0.1° |
| C34 | C06 | C07 | C09 | 3.3° | 0.3° |
| C34 | C06 | C07 | H7 | 176.6° | 180.0° |
| C06 | C34 | O35 | H15 | 0.5° | 90.0° |
| C01 | O05 | C06 | C07 | 12.0° | 0.0° |
| O05 | C01 | H4 | H5 | 120.0° | 120.0° |
| O05 | C01 | H4 | H6 | 120.0° | 120.0° |
| O05 | C01 | H5 | H6 | 120.0° | 120.0° |
| O05 | C06 | C07 | C09 | 179.8° | 179.8° |
| C06 | O05 | C01 | H4 | 180.0° | 180.0° |
| C06 | O05 | C01 | H5 | 60.0° | 60.0° |
| C06 | O05 | C01 | H6 | 60.0° | 59.9° |
| O05 | C06 | C07 | H7 | 0.3° | 0.0° |
| C13 | C11 | C09 | H9 | 180.0° | 179.9° |
| C13 | C11 | C09 | C07 | 1.4° | 0.5° |
| C13 | C11 | C09 | H8 | 178.6° | 180.0° |
| C06 | C07 | C09 | C11 | 2.2° | 0.5° |
| C06 | C07 | C09 | H7 | 180.0° | 179.8° |
| C06 | C07 | C09 | H8 | 177.8° | 180.0° |
| C11 | C09 | C07 | H8 | 180.0° | 179.5° |
| C11 | C09 | C07 | H7 | 177.8° | 179.7° |
| C07 | C09 | C11 | H9 | 178.6° | 179.4° |
| H1 | C21 | C19 | H11 | 2.7° | 0.3° |
| H2 | C24 | C26 | H3 | 3.7° | 0.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C07 | C09 | H8 | 2.3° | 0.3° |
| H8 | C09 | C11 | H9 | 1.4° | 0.0° |
