GWO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.53Å | |
| C33 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | O31 | doub | 1.21Å | 1.18Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | O39 | sing | 1.43Å | 1.40Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| N05 | C06 | sing | 1.47Å | 1.45Å | |
| C06 | C40 | sing | 1.53Å | 1.53Å | |
| C40 | C41 | sing | 1.51Å | 1.53Å | |
| C42 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C44 | sing | 1.38Å | 1.43Å | Aromatic |
| C41 | C43 | sing | 1.38Å | 1.34Å | Aromatic |
| C44 | C46 | doub | 1.38Å | 1.43Å | Aromatic |
| C43 | C45 | doub | 1.38Å | 1.34Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| N05 | H10 | sing | 1.01Å | 1.00Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| O39 | H13 | sing | 0.97Å | 0.95Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C40 | H15 | sing | 1.09Å | 1.10Å | |
| C42 | H16 | sing | 1.08Å | 1.08Å | |
| C43 | H17 | sing | 1.08Å | 1.08Å | |
| C44 | H18 | sing | 1.08Å | 1.08Å | |
| C45 | H19 | sing | 1.08Å | 1.08Å | |
| C46 | H20 | sing | 1.08Å | 1.08Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| C10 | OXT | sing | 1.34Å | 1.45Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N05 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C36 | C38 | 120.1° | 120.0° |
| C36 | C34 | C33 | 120.2° | 120.0° |
| C36 | C34 | H26 | 119.9° | 120.1° |
| C34 | C36 | H28 | 119.9° | 120.0° |
| C36 | C38 | C37 | 120.3° | 120.0° |
| C38 | C36 | H28 | 119.9° | 120.0° |
| C36 | C38 | H30 | 119.9° | 120.0° |
| C34 | C33 | C32 | 119.9° | 120.0° |
| C34 | C33 | C35 | 120.3° | 120.0° |
| C33 | C34 | H26 | 119.9° | 120.0° |
| C38 | C37 | C35 | 120.2° | 120.0° |
| C38 | C37 | H29 | 119.9° | 120.0° |
| C37 | C38 | H30 | 119.9° | 120.0° |
| C32 | C33 | C35 | 119.8° | 120.0° |
| C33 | C32 | C09 | 109.4° | 109.4° |
| C33 | C32 | H24 | 109.5° | 109.5° |
| C33 | C32 | H25 | 109.5° | 109.5° |
| C33 | C35 | C37 | 118.9° | 120.0° |
| C33 | C35 | H27 | 120.5° | 120.0° |
| C37 | C35 | H27 | 120.6° | 120.0° |
| C35 | C37 | H29 | 119.9° | 120.0° |
| C32 | C09 | C10 | 109.4° | 109.5° |
| C32 | C09 | C08 | 109.4° | 109.4° |
| C32 | C09 | H23 | 109.5° | 109.5° |
| C09 | C32 | H24 | 109.5° | 109.5° |
| C09 | C32 | H25 | 109.5° | 109.5° |
| O31 | C10 | C09 | 120.1° | 120.0° |
| O31 | C10 | OXT | 120.2° | 120.0° |
| C10 | C09 | C08 | 109.7° | 109.5° |
| C10 | C09 | H23 | 109.4° | 109.5° |
| C09 | C10 | OXT | 119.8° | 120.0° |
| C09 | C08 | C07 | 109.4° | 109.5° |
| C09 | C08 | H21 | 109.5° | 109.5° |
| C09 | C08 | H22 | 109.5° | 109.4° |
| C08 | C09 | H23 | 109.4° | 109.5° |
| C08 | C07 | O39 | 109.4° | 109.5° |
| C08 | C07 | C06 | 109.6° | 109.4° |
| C08 | C07 | H12 | 108.8° | 109.5° |
| C07 | C08 | H21 | 109.5° | 109.5° |
| C07 | C08 | H22 | 109.5° | 109.5° |
| O39 | C07 | C06 | 109.5° | 109.5° |
| O39 | C07 | H12 | 110.6° | 109.4° |
| C07 | O39 | H13 | 109.5° | 114.0° |
| C07 | C06 | N05 | 109.4° | 109.5° |
| C07 | C06 | C40 | 109.5° | 109.4° |
| C07 | C06 | H11 | 109.1° | 109.5° |
| C06 | C07 | H12 | 108.8° | 109.5° |
| N05 | C06 | C40 | 109.5° | 109.5° |
| C06 | N05 | H10 | 109.5° | 111.0° |
| N05 | C06 | H11 | 110.1° | 109.5° |
| C06 | N05 | H2 | 109.5° | 111.0° |
| C06 | C40 | C41 | 109.6° | 109.4° |
| C40 | C06 | H11 | 109.1° | 109.5° |
| C06 | C40 | H14 | 109.4° | 109.5° |
| C06 | C40 | H15 | 109.4° | 109.5° |
| C40 | C41 | C42 | 120.5° | 120.0° |
| C40 | C41 | C43 | 120.6° | 120.0° |
| C41 | C40 | H14 | 109.4° | 109.5° |
| C41 | C40 | H15 | 109.4° | 109.5° |
| C41 | C42 | C44 | 118.9° | 120.0° |
| C42 | C41 | C43 | 118.9° | 120.0° |
| C41 | C42 | H16 | 120.5° | 120.0° |
| C42 | C44 | C46 | 118.7° | 120.0° |
| C44 | C42 | H16 | 120.5° | 120.0° |
| C42 | C44 | H18 | 120.6° | 120.0° |
| C41 | C43 | C45 | 125.2° | 120.0° |
| C41 | C43 | H17 | 117.4° | 120.0° |
| C44 | C46 | C45 | 119.2° | 120.0° |
| C46 | C44 | H18 | 120.7° | 120.0° |
| C44 | C46 | H20 | 120.4° | 120.0° |
| C43 | C45 | C46 | 119.0° | 120.0° |
| C45 | C43 | H17 | 117.4° | 120.0° |
| C43 | C45 | H19 | 120.5° | 120.0° |
| C46 | C45 | H19 | 120.5° | 120.0° |
| C45 | C46 | H20 | 120.4° | 120.0° |
| H10 | N05 | H2 | 109.4° | 111.0° |
| H14 | C40 | H15 | 109.5° | 109.4° |
| H21 | C08 | H22 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| C10 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C36 | C38 | H28 | 180.0° | 180.0° |
| C36 | C34 | C33 | H26 | 180.0° | 180.0° |
| C34 | C36 | C38 | C37 | 0.0° | 0.3° |
| C36 | C34 | C33 | C32 | 180.0° | 179.9° |
| C36 | C34 | C33 | C35 | 0.0° | 0.3° |
| C34 | C36 | C38 | H30 | 180.0° | 180.0° |
| C38 | C36 | C34 | C33 | 0.0° | 0.1° |
| C36 | C38 | C37 | H30 | 180.0° | 179.7° |
| C36 | C38 | C37 | C35 | 0.0° | 0.3° |
| C38 | C36 | C34 | H26 | 180.0° | 180.0° |
| C36 | C38 | C37 | H29 | 179.9° | 179.7° |
| C34 | C33 | C32 | C35 | 180.0° | 179.8° |
| C34 | C33 | C35 | C37 | 0.0° | 0.2° |
| C34 | C33 | C32 | C09 | 78.2° | 89.8° |
| C34 | C33 | C32 | H24 | 161.9° | 150.3° |
| C34 | C33 | C32 | H25 | 41.8° | 30.2° |
| C34 | C33 | C35 | H27 | 180.0° | 179.7° |
| C33 | C34 | C36 | H28 | 180.0° | 180.0° |
| C38 | C37 | C35 | C33 | 0.0° | 0.1° |
| C38 | C37 | C35 | H29 | 180.0° | 179.9° |
| C38 | C37 | C35 | H27 | 180.0° | 180.0° |
| C37 | C38 | C36 | H28 | 180.0° | 179.7° |
| C32 | C33 | C35 | C37 | 179.9° | 180.0° |
| C33 | C32 | C09 | H24 | 120.0° | 120.0° |
| C33 | C32 | C09 | H25 | 120.0° | 120.0° |
| C33 | C32 | C09 | C10 | 59.7° | 65.0° |
| C33 | C32 | C09 | C08 | 60.5° | 175.0° |
| C33 | C32 | C09 | H23 | 179.6° | 55.0° |
| C33 | C32 | H24 | H25 | 120.0° | 120.0° |
| C32 | C33 | C34 | H26 | 0.0° | 0.0° |
| C32 | C33 | C35 | H27 | 0.0° | 0.1° |
| C33 | C35 | C37 | H27 | 180.0° | 179.9° |
| C35 | C33 | C32 | C09 | 101.8° | 90.0° |
| C35 | C33 | C32 | H24 | 18.2° | 29.9° |
| C35 | C33 | C32 | H25 | 138.2° | 149.9° |
| C35 | C33 | C34 | H26 | 180.0° | 179.8° |
| C33 | C35 | C37 | H29 | 179.9° | 180.0° |
| C35 | C37 | C38 | H30 | 179.9° | 179.9° |
| C32 | C09 | C10 | O31 | 92.8° | 83.5° |
| C32 | C09 | C10 | C08 | 120.0° | 120.0° |
| C32 | C09 | C10 | H23 | 119.9° | 120.0° |
| C32 | C09 | C08 | H23 | 119.9° | 120.0° |
| C32 | C09 | C08 | C07 | 74.3° | 65.8° |
| C32 | C09 | C08 | H21 | 165.7° | 54.2° |
| C32 | C09 | C08 | H22 | 45.7° | 174.1° |
| C09 | C32 | H24 | H25 | 120.0° | 120.0° |
| C32 | C09 | C10 | OXT | 87.2° | 96.5° |
| O31 | C10 | C09 | OXT | 180.0° | 180.0° |
| O31 | C10 | C09 | C08 | 27.2° | 36.4° |
| O31 | C10 | C09 | H23 | 147.3° | 156.5° |
| O31 | C10 | OXT | HXT | 0.0° | 0.0° |
| C10 | C09 | C08 | H23 | 120.1° | 120.0° |
| C10 | C09 | C08 | C07 | 165.8° | 174.2° |
| C10 | C09 | C08 | H21 | 45.7° | 65.8° |
| C10 | C09 | C08 | H22 | 74.3° | 54.2° |
| C10 | C09 | C32 | H24 | 179.7° | 175.0° |
| C10 | C09 | C32 | H25 | 60.3° | 55.0° |
| C09 | C10 | OXT | HXT | 180.0° | 180.0° |
| C09 | C08 | C07 | H21 | 120.0° | 120.0° |
| C09 | C08 | C07 | H22 | 120.0° | 119.9° |
| C09 | C08 | C07 | O39 | 59.9° | 63.4° |
| C09 | C08 | C07 | C06 | 179.9° | 176.6° |
| C09 | C08 | C07 | H12 | 61.0° | 56.6° |
| C09 | C08 | H21 | H22 | 120.1° | 119.9° |
| C08 | C09 | C32 | H24 | 59.5° | 55.0° |
| C08 | C09 | C32 | H25 | 179.5° | 65.0° |
| C08 | C09 | C10 | OXT | 152.8° | 143.5° |
| C08 | C07 | O39 | C06 | 120.1° | 120.0° |
| C08 | C07 | O39 | H12 | 119.9° | 120.0° |
| C08 | C07 | C06 | H12 | 118.9° | 120.0° |
| C08 | C07 | C06 | N05 | 74.0° | 60.0° |
| C08 | C07 | C06 | C40 | 165.9° | 180.0° |
| C08 | C07 | C06 | H11 | 46.5° | 60.0° |
| C08 | C07 | O39 | H13 | 180.0° | 55.2° |
| C07 | C08 | H21 | H22 | 120.0° | 120.1° |
| C07 | C08 | C09 | H23 | 45.7° | 54.1° |
| O39 | C07 | C06 | H12 | 121.0° | 120.0° |
| O39 | C07 | C06 | N05 | 165.9° | 180.0° |
| O39 | C07 | C06 | C40 | 45.9° | 60.0° |
| O39 | C07 | C06 | H11 | 73.5° | 60.0° |
| O39 | C07 | C08 | H21 | 60.1° | 176.6° |
| O39 | C07 | C08 | H22 | 179.9° | 56.6° |
| C07 | C06 | N05 | C40 | 120.0° | 120.0° |
| C07 | C06 | N05 | H11 | 119.9° | 120.0° |
| C07 | C06 | C40 | H11 | 119.4° | 120.0° |
| C07 | C06 | C40 | C41 | 153.0° | 175.0° |
| C07 | C06 | N05 | H10 | 180.0° | 59.9° |
| C06 | C07 | O39 | H13 | 59.9° | 64.7° |
| C07 | C06 | C40 | H14 | 33.0° | 65.0° |
| C07 | C06 | C40 | H15 | 87.0° | 55.0° |
| C06 | C07 | C08 | H21 | 60.1° | 56.7° |
| C06 | C07 | C08 | H22 | 60.0° | 63.4° |
| C07 | C06 | N05 | H2 | 60.0° | 176.1° |
| N05 | C06 | C40 | H11 | 120.6° | 120.0° |
| N05 | C06 | C40 | C41 | 33.0° | 65.0° |
| C06 | N05 | H10 | H2 | 120.0° | 124.0° |
| N05 | C06 | C07 | H12 | 44.9° | 60.0° |
| N05 | C06 | C40 | H14 | 87.0° | 55.0° |
| N05 | C06 | C40 | H15 | 153.0° | 175.0° |
| C06 | C40 | C41 | H14 | 120.0° | 120.0° |
| C06 | C40 | C41 | H15 | 120.0° | 120.0° |
| C06 | C40 | C41 | C42 | 75.6° | 89.7° |
| C06 | C40 | C41 | C43 | 104.3° | 90.1° |
| C40 | C06 | N05 | H10 | 60.0° | 60.0° |
| C40 | C06 | C07 | H12 | 75.2° | 60.0° |
| C06 | C40 | H14 | H15 | 120.0° | 120.0° |
| C40 | C06 | N05 | H2 | 179.9° | 63.9° |
| C40 | C41 | C42 | C43 | 179.9° | 179.8° |
| C40 | C41 | C42 | C44 | 179.9° | 180.0° |
| C40 | C41 | C43 | C45 | 180.0° | 180.0° |
| C41 | C40 | C06 | H11 | 87.6° | 55.0° |
| C41 | C40 | H14 | H15 | 119.9° | 120.0° |
| C40 | C41 | C42 | H16 | 0.1° | 0.0° |
| C40 | C41 | C43 | H17 | 0.0° | 0.1° |
| C41 | C42 | C44 | H16 | 180.0° | 179.9° |
| C41 | C42 | C44 | C46 | 0.0° | 0.0° |
| C42 | C41 | C43 | C45 | 0.0° | 0.2° |
| C42 | C41 | C40 | H14 | 44.4° | 150.3° |
| C42 | C41 | C40 | H15 | 164.3° | 30.3° |
| C42 | C41 | C43 | H17 | 180.0° | 179.7° |
| C41 | C42 | C44 | H18 | 179.9° | 179.9° |
| C44 | C42 | C41 | C43 | 0.0° | 0.2° |
| C42 | C44 | C46 | H18 | 180.0° | 179.9° |
| C42 | C44 | C46 | C45 | 0.1° | 0.3° |
| C42 | C44 | C46 | H20 | 179.9° | 180.0° |
| C41 | C43 | C45 | H17 | 180.0° | 179.8° |
| C41 | C43 | C45 | C46 | 0.0° | 0.1° |
| C43 | C41 | C40 | H14 | 135.7° | 29.9° |
| C43 | C41 | C40 | H15 | 15.7° | 149.9° |
| C43 | C41 | C42 | H16 | 180.0° | 179.8° |
| C41 | C43 | C45 | H19 | 180.0° | 180.0° |
| C44 | C46 | C45 | C43 | 0.1° | 0.4° |
| C44 | C46 | C45 | H20 | 180.0° | 179.7° |
| C46 | C44 | C42 | H16 | 179.9° | 179.9° |
| C44 | C46 | C45 | H19 | 179.9° | 179.7° |
| C43 | C45 | C46 | H19 | 180.0° | 179.9° |
| C43 | C45 | C46 | H20 | 179.9° | 179.9° |
| C46 | C45 | C43 | H17 | 180.0° | 180.0° |
| C45 | C46 | C44 | H18 | 179.9° | 179.8° |
| H10 | N05 | C06 | H11 | 60.0° | 179.9° |
| H11 | C06 | C07 | H12 | 165.4° | 180.0° |
| H11 | C06 | C40 | H14 | 152.4° | 175.0° |
| H11 | C06 | C40 | H15 | 32.4° | 65.0° |
| H11 | C06 | N05 | H2 | 59.9° | 56.1° |
| H12 | C07 | O39 | H13 | 60.1° | 175.2° |
| H12 | C07 | C08 | H21 | 179.0° | 63.4° |
| H12 | C07 | C08 | H22 | 58.9° | 176.5° |
| H16 | C42 | C44 | H18 | 0.1° | 0.0° |
| H17 | C43 | C45 | H19 | 0.0° | 0.1° |
| H18 | C44 | C46 | H20 | 0.1° | 0.1° |
| H19 | C45 | C46 | H20 | 0.0° | 0.0° |
| H21 | C08 | C09 | H23 | 74.3° | 174.1° |
| H22 | C08 | C09 | H23 | 165.6° | 65.9° |
| H23 | C09 | C32 | H24 | 60.4° | 64.9° |
| H23 | C09 | C32 | H25 | 59.6° | 175.0° |
| H23 | C09 | C10 | OXT | 32.7° | 23.5° |
| H26 | C34 | C36 | H28 | 0.0° | 0.0° |
| H27 | C35 | C37 | H29 | 0.1° | 0.1° |
| H28 | C36 | C38 | H30 | 0.0° | 0.0° |
| H29 | C37 | C38 | H30 | 0.1° | 0.0° |
