WT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C24 | sing | 1.43Å | 1.42Å | |
| N22 | C21 | doub | 1.32Å | 1.33Å | Aromatic |
| N22 | C23 | sing | 1.33Å | 1.34Å | Aromatic |
| C21 | N20 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | C24 | sing | 1.54Å | 1.57Å | |
| C13 | O12 | sing | 1.44Å | 1.42Å | |
| C13 | N14 | sing | 1.47Å | 1.46Å | |
| C24 | C26 | sing | 1.55Å | 1.54Å | |
| O12 | C11 | sing | 1.44Å | 1.47Å | |
| C23 | N14 | sing | 1.37Å | 1.36Å | Aromatic |
| C23 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| N20 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| N14 | C15 | sing | 1.36Å | 1.40Å | Aromatic |
| C11 | C26 | sing | 1.54Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O27 | C26 | sing | 1.43Å | 1.44Å | |
| O07 | P06 | doub | 1.48Å | 1.55Å | |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | N16 | sing | 1.35Å | 1.39Å | Aromatic |
| C18 | N19 | sing | 1.38Å | 1.34Å | |
| O09 | C10 | sing | 1.43Å | 1.42Å | |
| O09 | P06 | sing | 1.61Å | 1.66Å | |
| C15 | N16 | doub | 1.30Å | 1.30Å | Aromatic |
| C04 | O05 | sing | 1.43Å | 1.44Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| P06 | O05 | sing | 1.61Å | 1.67Å | |
| P06 | O08 | sing | 1.61Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| O08 | H20 | sing | 0.97Å | 0.95Å | |
| O25 | H21 | sing | 0.97Å | 0.95Å | |
| O27 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C24 | C13 | 113.5° | 110.6° |
| O25 | C24 | C26 | 109.8° | 110.5° |
| O25 | C24 | H16 | 111.9° | 110.5° |
| C24 | O25 | H21 | 109.5° | 114.1° |
| C21 | N22 | C23 | 113.4° | 120.7° |
| N22 | C21 | N20 | 126.5° | 122.5° |
| N22 | C21 | H15 | 116.8° | 118.8° |
| N22 | C23 | N14 | 129.3° | 135.0° |
| N22 | C23 | C17 | 124.7° | 119.0° |
| C21 | N20 | C18 | 119.9° | 121.1° |
| N20 | C21 | H15 | 116.7° | 118.7° |
| C24 | C13 | O12 | 106.3° | 104.8° |
| C24 | C13 | N14 | 112.7° | 110.4° |
| C13 | C24 | C26 | 101.1° | 104.0° |
| C24 | C13 | H13 | 108.5° | 110.4° |
| C13 | C24 | H16 | 109.8° | 110.5° |
| O12 | C13 | N14 | 108.6° | 110.4° |
| C13 | O12 | C11 | 109.8° | 105.3° |
| O12 | C13 | H13 | 110.6° | 110.4° |
| C13 | N14 | C23 | 127.5° | 126.3° |
| C13 | N14 | C15 | 125.5° | 126.3° |
| N14 | C13 | H13 | 110.0° | 110.4° |
| C24 | C26 | C11 | 101.2° | 104.1° |
| C24 | C26 | O27 | 112.6° | 110.5° |
| C26 | C24 | H16 | 110.1° | 110.5° |
| C24 | C26 | H17 | 111.2° | 110.5° |
| O12 | C11 | C26 | 102.1° | 104.8° |
| O12 | C11 | C10 | 111.4° | 110.4° |
| O12 | C11 | H1 | 110.9° | 110.4° |
| N14 | C23 | C17 | 106.0° | 106.0° |
| C23 | N14 | C15 | 107.0° | 107.4° |
| C23 | C17 | C18 | 117.3° | 118.2° |
| C23 | C17 | N16 | 109.9° | 107.1° |
| N20 | C18 | C17 | 118.1° | 118.5° |
| N20 | C18 | N19 | 119.1° | 120.7° |
| N14 | C15 | N16 | 111.3° | 110.0° |
| N14 | C15 | H14 | 124.3° | 125.0° |
| C26 | C11 | C10 | 112.0° | 110.4° |
| C11 | C26 | O27 | 106.9° | 110.6° |
| C26 | C11 | H1 | 110.2° | 110.3° |
| C11 | C26 | H17 | 111.6° | 110.5° |
| C11 | C10 | O09 | 109.3° | 109.4° |
| C10 | C11 | H1 | 110.0° | 110.4° |
| C11 | C10 | H2 | 109.5° | 109.5° |
| C11 | C10 | H3 | 109.5° | 109.5° |
| O27 | C26 | H17 | 112.7° | 110.5° |
| C26 | O27 | H22 | 109.5° | 114.0° |
| O07 | P06 | O09 | 105.1° | 109.5° |
| O07 | P06 | O05 | 108.3° | 109.5° |
| O07 | P06 | O08 | 122.4° | 109.4° |
| C18 | C17 | N16 | 132.8° | 134.7° |
| C17 | C18 | N19 | 122.8° | 120.8° |
| C17 | N16 | C15 | 105.8° | 109.4° |
| C18 | N19 | H18 | 109.5° | 120.0° |
| C18 | N19 | H19 | 109.4° | 120.0° |
| C10 | O09 | P06 | 123.5° | 123.0° |
| O09 | C10 | H2 | 109.5° | 109.5° |
| O09 | C10 | H3 | 109.5° | 109.5° |
| O09 | P06 | O05 | 96.6° | 109.5° |
| O09 | P06 | O08 | 110.9° | 109.5° |
| N16 | C15 | H14 | 124.3° | 125.0° |
| O05 | C04 | C03 | 108.0° | 109.5° |
| C04 | O05 | P06 | 120.9° | 123.0° |
| O05 | C04 | H11 | 109.9° | 109.4° |
| O05 | C04 | H12 | 109.8° | 109.5° |
| C04 | C03 | C02 | 111.6° | 109.5° |
| C04 | C03 | H9 | 109.0° | 109.5° |
| C04 | C03 | H10 | 108.9° | 109.5° |
| C03 | C04 | H11 | 109.8° | 109.5° |
| C03 | C04 | H12 | 109.8° | 109.5° |
| O05 | P06 | O08 | 110.3° | 109.5° |
| P06 | O08 | H20 | 109.5° | 114.0° |
| C03 | C02 | C01 | 112.1° | 109.5° |
| C03 | C02 | H7 | 108.8° | 109.4° |
| C03 | C02 | H8 | 108.8° | 109.5° |
| C02 | C03 | H9 | 108.9° | 109.4° |
| C02 | C03 | H10 | 108.9° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C02 | C01 | H5 | 109.4° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C01 | C02 | H7 | 108.8° | 109.5° |
| C01 | C02 | H8 | 108.8° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.4° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.4° | 109.4° |
| H18 | N19 | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C24 | C13 | C26 | 117.5° | 118.6° |
| O25 | C24 | C13 | H16 | 126.2° | 122.7° |
| O25 | C24 | C13 | O12 | 97.9° | 142.6° |
| O25 | C24 | C13 | N14 | 143.2° | 98.5° |
| O25 | C24 | C26 | H16 | 123.7° | 122.7° |
| O25 | C24 | C26 | C11 | 82.0° | 118.7° |
| O25 | C24 | C26 | O27 | 31.8° | 0.0° |
| O25 | C24 | C13 | H13 | 21.1° | 23.7° |
| O25 | C24 | C26 | H17 | 159.4° | 122.7° |
| N22 | C21 | N20 | H15 | 180.0° | 179.3° |
| C21 | N22 | C23 | N14 | 179.4° | 179.3° |
| C21 | N22 | C23 | C17 | 0.6° | 0.5° |
| N22 | C21 | N20 | C18 | 0.0° | 0.7° |
| C23 | N22 | C21 | N20 | 0.5° | 0.9° |
| N22 | C23 | N14 | C13 | 1.8° | 0.0° |
| N22 | C23 | N14 | C17 | 179.0° | 179.8° |
| N22 | C23 | N14 | C15 | 179.9° | 180.0° |
| N22 | C23 | C17 | C18 | 0.0° | 0.2° |
| N22 | C23 | C17 | N16 | 180.0° | 179.9° |
| C23 | N22 | C21 | H15 | 179.5° | 179.7° |
| C21 | N20 | C18 | C17 | 0.6° | 0.0° |
| C21 | N20 | C18 | N19 | 179.7° | 180.0° |
| C24 | C13 | O12 | N14 | 121.5° | 118.9° |
| C24 | C13 | O12 | H13 | 117.7° | 118.8° |
| C24 | C13 | N14 | H13 | 121.3° | 122.3° |
| C13 | C24 | C26 | H16 | 116.1° | 118.7° |
| C24 | C13 | O12 | C11 | 7.8° | 40.5° |
| C24 | C13 | N14 | C23 | 64.9° | 84.9° |
| C24 | C13 | N14 | C15 | 113.2° | 95.0° |
| C13 | C24 | C26 | C11 | 38.2° | 0.0° |
| C13 | C24 | C26 | O27 | 152.0° | 118.7° |
| C13 | C24 | C26 | H17 | 80.4° | 118.6° |
| C13 | C24 | O25 | H21 | 180.0° | 180.0° |
| O12 | C13 | N14 | H13 | 121.2° | 122.3° |
| O12 | C13 | C24 | C26 | 19.5° | 23.9° |
| O12 | C13 | N14 | C23 | 177.6° | 159.6° |
| O12 | C13 | N14 | C15 | 4.3° | 20.5° |
| C13 | O12 | C11 | C26 | 32.6° | 40.5° |
| C13 | O12 | C11 | C10 | 152.3° | 159.3° |
| C13 | O12 | C11 | H1 | 84.8° | 78.4° |
| O12 | C13 | C24 | H16 | 135.9° | 94.7° |
| N14 | C13 | C24 | C26 | 99.3° | 142.8° |
| N14 | C13 | O12 | C11 | 129.2° | 159.3° |
| C13 | N14 | C23 | C15 | 178.3° | 179.9° |
| C13 | N14 | C23 | C17 | 179.2° | 179.7° |
| C13 | N14 | C15 | N16 | 178.9° | 179.9° |
| C13 | N14 | C15 | H14 | 1.1° | 0.3° |
| N14 | C13 | C24 | H16 | 17.0° | 24.2° |
| C24 | C26 | C11 | O12 | 43.5° | 24.0° |
| C24 | C26 | C11 | O27 | 118.0° | 118.6° |
| C24 | C26 | C11 | H17 | 118.3° | 118.6° |
| C24 | C26 | C11 | C10 | 162.8° | 142.8° |
| C24 | C26 | O27 | H17 | 126.7° | 122.6° |
| C24 | C26 | C11 | H1 | 74.4° | 94.9° |
| C26 | C24 | C13 | H13 | 138.6° | 94.9° |
| C26 | C24 | O25 | H21 | 67.7° | 65.4° |
| C24 | C26 | O27 | H22 | 180.0° | 65.3° |
| O12 | C11 | C26 | C10 | 119.3° | 118.9° |
| O12 | C11 | C26 | H1 | 117.9° | 118.9° |
| O12 | C11 | C10 | H1 | 123.4° | 122.4° |
| O12 | C11 | C26 | O27 | 161.5° | 142.6° |
| O12 | C11 | C10 | O09 | 52.6° | 69.6° |
| O12 | C11 | C10 | H2 | 172.6° | 170.4° |
| O12 | C11 | C10 | H3 | 67.4° | 50.4° |
| C11 | O12 | C13 | H13 | 109.9° | 78.4° |
| O12 | C11 | C26 | H17 | 74.9° | 94.7° |
| N14 | C23 | C17 | C18 | 179.1° | 180.0° |
| N14 | C23 | C17 | N16 | 0.9° | 0.3° |
| C23 | N14 | C15 | N16 | 0.5° | 0.0° |
| C23 | N14 | C13 | H13 | 56.4° | 37.3° |
| C23 | N14 | C15 | H14 | 179.5° | 179.7° |
| C23 | C17 | C18 | N20 | 0.5° | 0.4° |
| C17 | C23 | N14 | C15 | 0.9° | 0.2° |
| C23 | C17 | C18 | N16 | 179.9° | 179.6° |
| C23 | C17 | C18 | N19 | 179.8° | 179.6° |
| C23 | C17 | N16 | C15 | 0.6° | 0.3° |
| N20 | C18 | C17 | N19 | 179.6° | 180.0° |
| N20 | C18 | C17 | N16 | 179.3° | 180.0° |
| C18 | N20 | C21 | H15 | 180.0° | 180.0° |
| N20 | C18 | N19 | H18 | 0.0° | 180.0° |
| N20 | C18 | N19 | H19 | 120.0° | 0.0° |
| N14 | C15 | N16 | C17 | 0.1° | 0.2° |
| N14 | C15 | N16 | H14 | 180.0° | 179.8° |
| C15 | N14 | C13 | H13 | 125.6° | 142.7° |
| C26 | C11 | C10 | H1 | 123.0° | 122.2° |
| C11 | C26 | O27 | H17 | 122.9° | 122.7° |
| C26 | C11 | C10 | O09 | 166.3° | 175.0° |
| C26 | C11 | C10 | H2 | 73.7° | 55.0° |
| C26 | C11 | C10 | H3 | 46.3° | 65.0° |
| C11 | C26 | C24 | H16 | 154.3° | 118.7° |
| C11 | C26 | O27 | H22 | 69.7° | 180.0° |
| C10 | C11 | C26 | O27 | 79.2° | 98.5° |
| C11 | C10 | O09 | H2 | 120.0° | 120.0° |
| C11 | C10 | O09 | H3 | 120.0° | 120.0° |
| C11 | C10 | O09 | P06 | 179.1° | 180.0° |
| C11 | C10 | H2 | H3 | 120.1° | 120.0° |
| C10 | C11 | C26 | H17 | 44.5° | 24.2° |
| O27 | C26 | C11 | H1 | 43.6° | 23.7° |
| O27 | C26 | C24 | H16 | 91.8° | 122.6° |
| O07 | P06 | O09 | C10 | 152.4° | 55.0° |
| O07 | P06 | O09 | O05 | 111.0° | 120.0° |
| O07 | P06 | O09 | O08 | 134.3° | 120.0° |
| O07 | P06 | O05 | C04 | 58.6° | 55.0° |
| O07 | P06 | O05 | O08 | 136.4° | 120.0° |
| O07 | P06 | O08 | H20 | 0.0° | 180.0° |
| C18 | C17 | N16 | C15 | 179.5° | 180.0° |
| C17 | C18 | N19 | H18 | 179.6° | 0.0° |
| C17 | C18 | N19 | H19 | 60.4° | 180.0° |
| N16 | C17 | C18 | N19 | 0.3° | 0.0° |
| C17 | N16 | C15 | H14 | 179.9° | 180.0° |
| C18 | N19 | H18 | H19 | 120.0° | 180.0° |
| C10 | O09 | P06 | O05 | 96.6° | 175.0° |
| C10 | O09 | P06 | O08 | 18.1° | 65.0° |
| O09 | C10 | C11 | H1 | 70.7° | 52.8° |
| O09 | C10 | H2 | H3 | 120.1° | 120.0° |
| O09 | P06 | O05 | C04 | 49.8° | 175.0° |
| O09 | P06 | O05 | O08 | 115.2° | 120.0° |
| P06 | O09 | C10 | H2 | 59.1° | 60.0° |
| P06 | O09 | C10 | H3 | 61.0° | 60.0° |
| O09 | P06 | O08 | H20 | 125.1° | 60.0° |
| O05 | C04 | C03 | H11 | 119.8° | 120.0° |
| O05 | C04 | C03 | H12 | 119.8° | 120.1° |
| C04 | O05 | P06 | O08 | 165.0° | 65.0° |
| O05 | C04 | C03 | C02 | 41.6° | 180.0° |
| O05 | C04 | C03 | H9 | 161.9° | 60.0° |
| O05 | C04 | C03 | H10 | 78.7° | 60.0° |
| O05 | C04 | H11 | H12 | 120.7° | 120.0° |
| C03 | C04 | O05 | P06 | 170.7° | 180.0° |
| C04 | C03 | C02 | H9 | 120.3° | 120.0° |
| C04 | C03 | C02 | H10 | 120.3° | 120.0° |
| C04 | C03 | C02 | C01 | 63.2° | 180.0° |
| C04 | C03 | C02 | H7 | 176.4° | 60.0° |
| C04 | C03 | C02 | H8 | 57.2° | 59.9° |
| C04 | C03 | H9 | H10 | 119.0° | 120.0° |
| C03 | C04 | H11 | H12 | 120.6° | 120.1° |
| P06 | O05 | C04 | H11 | 69.5° | 60.0° |
| P06 | O05 | C04 | H12 | 50.9° | 59.9° |
| O05 | P06 | O08 | H20 | 129.1° | 60.0° |
| C03 | C02 | C01 | H7 | 120.4° | 120.0° |
| C03 | C02 | C01 | H8 | 120.4° | 120.0° |
| C03 | C02 | C01 | H4 | 180.0° | 180.0° |
| C03 | C02 | C01 | H5 | 60.0° | 60.0° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | H7 | H8 | 118.8° | 120.0° |
| C02 | C03 | H9 | H10 | 119.0° | 120.0° |
| C02 | C03 | C04 | H11 | 78.2° | 60.0° |
| C02 | C03 | C04 | H12 | 161.4° | 60.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | H7 | H8 | 118.8° | 120.0° |
| C01 | C02 | C03 | H9 | 57.1° | 60.0° |
| C01 | C02 | C03 | H10 | 176.5° | 60.0° |
| H1 | C11 | C10 | H2 | 49.2° | 67.2° |
| H1 | C11 | C10 | H3 | 169.3° | 172.7° |
| H1 | C11 | C26 | H17 | 167.3° | 146.5° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H4 | C01 | C02 | H7 | 59.6° | 60.0° |
| H4 | C01 | C02 | H8 | 59.6° | 60.0° |
| H5 | C01 | C02 | H7 | 179.6° | 60.0° |
| H5 | C01 | C02 | H8 | 60.4° | 180.0° |
| H6 | C01 | C02 | H7 | 60.4° | 180.0° |
| H6 | C01 | C02 | H8 | 179.6° | 60.0° |
| H7 | C02 | C03 | H9 | 63.3° | 180.0° |
| H7 | C02 | C03 | H10 | 56.1° | 60.0° |
| H8 | C02 | C03 | H9 | 177.5° | 60.1° |
| H8 | C02 | C03 | H10 | 63.1° | 179.9° |
| H9 | C03 | C04 | H11 | 42.1° | 180.0° |
| H9 | C03 | C04 | H12 | 78.3° | 60.0° |
| H10 | C03 | C04 | H11 | 161.5° | 60.0° |
| H10 | C03 | C04 | H12 | 41.1° | 180.0° |
| H13 | C13 | C24 | H16 | 105.1° | 146.5° |
| H16 | C24 | C26 | H17 | 35.7° | 0.0° |
| H16 | C24 | O25 | H21 | 54.9° | 57.2° |
| H17 | C26 | O27 | H22 | 53.3° | 57.3° |
