9VW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.24Å | |
| C25 | C28 | sing | 1.53Å | 1.52Å | |
| C25 | C22 | sing | 1.53Å | 1.52Å | |
| C31 | C28 | sing | 1.53Å | 1.52Å | |
| C31 | C34 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C34 | sing | 1.53Å | 1.52Å | |
| C20 | N18 | sing | 1.46Å | 1.46Å | |
| C02 | N18 | sing | 1.35Å | 1.35Å | |
| C02 | N03 | sing | 1.35Å | 1.35Å | |
| C05 | N03 | sing | 1.46Å | 1.45Å | |
| C05 | C08 | sing | 1.51Å | 1.51Å | |
| C08 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | N15 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N15 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| N03 | H7 | sing | 0.97Å | 1.00Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| N18 | H13 | sing | 0.97Å | 1.00Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N18 | 123.4° | 120.0° |
| O01 | C02 | N03 | 123.5° | 120.0° |
| C28 | C25 | C22 | 111.3° | 109.5° |
| C25 | C28 | C31 | 111.0° | 109.5° |
| C25 | C28 | H5 | 109.1° | 109.5° |
| C25 | C28 | H6 | 109.1° | 109.4° |
| C28 | C25 | H14 | 109.0° | 109.5° |
| C28 | C25 | H15 | 109.0° | 109.5° |
| C25 | C22 | C20 | 111.4° | 109.5° |
| C25 | C22 | H3 | 109.0° | 109.5° |
| C25 | C22 | H4 | 109.0° | 109.5° |
| C22 | C25 | H14 | 109.0° | 109.4° |
| C22 | C25 | H15 | 109.0° | 109.5° |
| C28 | C31 | C34 | 111.3° | 109.5° |
| C31 | C28 | H5 | 109.1° | 109.5° |
| C31 | C28 | H6 | 109.1° | 109.5° |
| C28 | C31 | H16 | 109.0° | 109.5° |
| C28 | C31 | H17 | 109.0° | 109.4° |
| C31 | C34 | C20 | 111.5° | 109.4° |
| C34 | C31 | H16 | 109.0° | 109.5° |
| C34 | C31 | H17 | 109.0° | 109.5° |
| C31 | C34 | H18 | 109.0° | 109.4° |
| C31 | C34 | H19 | 109.0° | 109.4° |
| C22 | C20 | C34 | 110.9° | 109.4° |
| C22 | C20 | N18 | 109.7° | 109.5° |
| C22 | C20 | H2 | 108.4° | 109.5° |
| C20 | C22 | H3 | 109.0° | 109.4° |
| C20 | C22 | H4 | 109.0° | 109.5° |
| C34 | C20 | N18 | 110.1° | 109.4° |
| C34 | C20 | H2 | 108.5° | 109.5° |
| C20 | C34 | H18 | 109.0° | 109.5° |
| C20 | C34 | H19 | 109.0° | 109.5° |
| C20 | N18 | C02 | 124.1° | 120.0° |
| N18 | C20 | H2 | 109.3° | 109.5° |
| C20 | N18 | H13 | 118.0° | 120.1° |
| N18 | C02 | N03 | 113.1° | 120.0° |
| C02 | N18 | H13 | 118.0° | 120.0° |
| C02 | N03 | C05 | 123.4° | 120.0° |
| C02 | N03 | H7 | 118.3° | 120.0° |
| N03 | C05 | C08 | 111.9° | 109.4° |
| C05 | N03 | H7 | 118.3° | 120.0° |
| N03 | C05 | H8 | 108.8° | 109.5° |
| N03 | C05 | H9 | 108.8° | 109.5° |
| C05 | C08 | C09 | 121.7° | 120.4° |
| C05 | C08 | C16 | 121.2° | 120.4° |
| C08 | C05 | H8 | 108.8° | 109.5° |
| C08 | C05 | H9 | 108.9° | 109.5° |
| C09 | C08 | C16 | 117.0° | 119.1° |
| C08 | C09 | C11 | 120.2° | 118.5° |
| C08 | C09 | H10 | 119.9° | 120.8° |
| C08 | C16 | N15 | 124.2° | 120.8° |
| C08 | C16 | H12 | 117.9° | 119.6° |
| C09 | C11 | C13 | 118.3° | 119.1° |
| C11 | C09 | H10 | 119.9° | 120.8° |
| C09 | C11 | H11 | 120.9° | 120.5° |
| C16 | N15 | C13 | 117.1° | 121.7° |
| N15 | C16 | H12 | 117.9° | 119.6° |
| C11 | C13 | N15 | 123.2° | 120.8° |
| C11 | C13 | H1 | 118.4° | 119.7° |
| C13 | C11 | H11 | 120.8° | 120.4° |
| N15 | C13 | H1 | 118.4° | 119.6° |
| H3 | C22 | H4 | 109.5° | 109.4° |
| H5 | C28 | H6 | 109.4° | 109.4° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.4° |
| H18 | C34 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N18 | C20 | 4.9° | 0.0° |
| O01 | C02 | N18 | N03 | 177.8° | 179.9° |
| O01 | C02 | N03 | C05 | 0.6° | 0.1° |
| O01 | C02 | N03 | H7 | 179.4° | 180.0° |
| O01 | C02 | N18 | H13 | 175.1° | 179.9° |
| C28 | C25 | C22 | H14 | 120.3° | 120.0° |
| C28 | C25 | C22 | H15 | 120.2° | 120.0° |
| C25 | C28 | C31 | H5 | 120.3° | 120.0° |
| C25 | C28 | C31 | H6 | 120.2° | 120.0° |
| C25 | C28 | C31 | C34 | 55.6° | 60.0° |
| C28 | C25 | C22 | C20 | 55.7° | 60.0° |
| C28 | C25 | C22 | H3 | 64.6° | 180.0° |
| C28 | C25 | C22 | H4 | 176.0° | 60.1° |
| C25 | C28 | H5 | H6 | 119.3° | 119.9° |
| C28 | C25 | H14 | H15 | 119.2° | 120.1° |
| C25 | C28 | C31 | H16 | 64.7° | 60.0° |
| C25 | C28 | C31 | H17 | 175.8° | 180.0° |
| C22 | C25 | C28 | C31 | 55.9° | 60.0° |
| C25 | C22 | C20 | H3 | 120.3° | 120.0° |
| C25 | C22 | C20 | H4 | 120.3° | 120.0° |
| C25 | C22 | C20 | C34 | 55.1° | 60.0° |
| C25 | C22 | C20 | N18 | 176.9° | 180.0° |
| C25 | C22 | C20 | H2 | 63.9° | 60.0° |
| C25 | C22 | H3 | H4 | 119.2° | 120.0° |
| C22 | C25 | C28 | H5 | 176.1° | 180.0° |
| C22 | C25 | C28 | H6 | 64.4° | 60.0° |
| C22 | C25 | H14 | H15 | 119.2° | 120.0° |
| C28 | C31 | C34 | H16 | 120.3° | 120.1° |
| C28 | C31 | C34 | H17 | 120.3° | 120.0° |
| C28 | C31 | C34 | C20 | 55.4° | 60.0° |
| C31 | C28 | H5 | H6 | 119.3° | 120.0° |
| C31 | C28 | C25 | H14 | 176.1° | 60.0° |
| C31 | C28 | C25 | H15 | 64.4° | 180.0° |
| C28 | C31 | H16 | H17 | 119.1° | 120.0° |
| C28 | C31 | C34 | H18 | 175.6° | 60.0° |
| C28 | C31 | C34 | H19 | 65.0° | 180.0° |
| C31 | C34 | C20 | C22 | 54.8° | 60.0° |
| C31 | C34 | C20 | H18 | 120.3° | 120.0° |
| C31 | C34 | C20 | H19 | 120.3° | 119.9° |
| C31 | C34 | C20 | N18 | 176.4° | 180.0° |
| C31 | C34 | C20 | H2 | 64.1° | 60.0° |
| C34 | C31 | C28 | H5 | 175.8° | 179.9° |
| C34 | C31 | C28 | H6 | 64.7° | 59.9° |
| C34 | C31 | H16 | H17 | 119.1° | 120.0° |
| C31 | C34 | H18 | H19 | 119.1° | 120.0° |
| C22 | C20 | C34 | N18 | 121.6° | 120.0° |
| C22 | C20 | C34 | H2 | 118.9° | 120.0° |
| C22 | C20 | N18 | H2 | 118.7° | 120.1° |
| C22 | C20 | N18 | C02 | 98.6° | 155.0° |
| C20 | C22 | H3 | H4 | 119.1° | 120.0° |
| C22 | C20 | N18 | H13 | 81.4° | 24.9° |
| C20 | C22 | C25 | H14 | 176.0° | 60.0° |
| C20 | C22 | C25 | H15 | 64.5° | 180.0° |
| C22 | C20 | C34 | H18 | 175.1° | 60.0° |
| C22 | C20 | C34 | H19 | 65.5° | 179.9° |
| C34 | C20 | N18 | H2 | 119.0° | 120.0° |
| C34 | C20 | N18 | C02 | 139.1° | 85.0° |
| C34 | C20 | C22 | H3 | 65.2° | 180.0° |
| C34 | C20 | C22 | H4 | 175.4° | 60.0° |
| C34 | C20 | N18 | H13 | 41.0° | 95.0° |
| C20 | C34 | C31 | H16 | 64.9° | 60.0° |
| C20 | C34 | C31 | H17 | 175.6° | 180.0° |
| C20 | C34 | H18 | H19 | 119.1° | 120.1° |
| C20 | N18 | C02 | H13 | 180.0° | 179.9° |
| C20 | N18 | C02 | N03 | 177.2° | 179.9° |
| N18 | C20 | C22 | H3 | 56.6° | 60.0° |
| N18 | C20 | C22 | H4 | 62.8° | 59.9° |
| N18 | C20 | C34 | H18 | 63.3° | 60.0° |
| N18 | C20 | C34 | H19 | 56.1° | 60.1° |
| N18 | C02 | N03 | C05 | 177.2° | 180.0° |
| C02 | N18 | C20 | H2 | 20.1° | 34.9° |
| N18 | C02 | N03 | H7 | 2.8° | 0.1° |
| C02 | N03 | C05 | H7 | 180.0° | 179.9° |
| C02 | N03 | C05 | C08 | 148.0° | 180.0° |
| C02 | N03 | C05 | H8 | 27.6° | 60.1° |
| C02 | N03 | C05 | H9 | 91.7° | 59.9° |
| N03 | C02 | N18 | H13 | 2.8° | 0.0° |
| N03 | C05 | C08 | H8 | 120.3° | 120.0° |
| N03 | C05 | C08 | H9 | 120.4° | 120.0° |
| N03 | C05 | C08 | C09 | 101.7° | 90.0° |
| N03 | C05 | C08 | C16 | 75.4° | 89.3° |
| N03 | C05 | H8 | H9 | 118.9° | 120.0° |
| C05 | C08 | C09 | C16 | 177.2° | 179.3° |
| C05 | C08 | C09 | C11 | 179.1° | 180.0° |
| C05 | C08 | C16 | N15 | 179.4° | 179.8° |
| C08 | C05 | N03 | H7 | 32.0° | 0.1° |
| C08 | C05 | H8 | H9 | 118.9° | 120.0° |
| C05 | C08 | C09 | H10 | 0.9° | 0.1° |
| C05 | C08 | C16 | H12 | 0.7° | 0.7° |
| C08 | C09 | C11 | H10 | 180.0° | 180.0° |
| C09 | C08 | C16 | N15 | 2.1° | 0.4° |
| C08 | C09 | C11 | C13 | 0.7° | 0.5° |
| C09 | C08 | C05 | H8 | 18.7° | 30.0° |
| C09 | C08 | C05 | H9 | 138.0° | 150.0° |
| C08 | C09 | C11 | H11 | 179.3° | 179.5° |
| C09 | C08 | C16 | H12 | 177.9° | 180.0° |
| C16 | C08 | C09 | C11 | 1.9° | 0.7° |
| C08 | C16 | N15 | H12 | 180.0° | 179.6° |
| C08 | C16 | N15 | C13 | 1.1° | 0.1° |
| C16 | C08 | C05 | H8 | 164.2° | 150.7° |
| C16 | C08 | C05 | H9 | 44.9° | 30.7° |
| C16 | C08 | C09 | H10 | 178.1° | 179.3° |
| C09 | C11 | C13 | H11 | 180.0° | 180.0° |
| C09 | C11 | C13 | N15 | 0.4° | 0.0° |
| C09 | C11 | C13 | H1 | 179.6° | 179.7° |
| C16 | N15 | C13 | C11 | 0.2° | 0.3° |
| C16 | N15 | C13 | H1 | 179.8° | 180.0° |
| C11 | C13 | N15 | H1 | 180.0° | 179.7° |
| C13 | C11 | C09 | H10 | 179.3° | 179.5° |
| N15 | C13 | C11 | H11 | 179.6° | 180.0° |
| C13 | N15 | C16 | H12 | 178.9° | 179.5° |
| H1 | C13 | C11 | H11 | 0.4° | 0.3° |
| H2 | C20 | C22 | H3 | 175.8° | 60.0° |
| H2 | C20 | C22 | H4 | 56.4° | 180.0° |
| H2 | C20 | N18 | H13 | 160.0° | 145.0° |
| H2 | C20 | C34 | H18 | 56.2° | 180.0° |
| H2 | C20 | C34 | H19 | 175.6° | 59.9° |
| H3 | C22 | C25 | H14 | 55.7° | 60.0° |
| H3 | C22 | C25 | H15 | 175.2° | 60.0° |
| H4 | C22 | C25 | H14 | 63.7° | 180.0° |
| H4 | C22 | C25 | H15 | 55.8° | 60.0° |
| H5 | C28 | C25 | H14 | 63.6° | 60.1° |
| H5 | C28 | C25 | H15 | 55.9° | 60.0° |
| H5 | C28 | C31 | H16 | 55.5° | 60.0° |
| H5 | C28 | C31 | H17 | 63.9° | 60.0° |
| H6 | C28 | C25 | H14 | 55.9° | 180.0° |
| H6 | C28 | C25 | H15 | 175.4° | 60.0° |
| H6 | C28 | C31 | H16 | 175.0° | 180.0° |
| H6 | C28 | C31 | H17 | 55.6° | 60.0° |
| H7 | N03 | C05 | H8 | 152.3° | 120.1° |
| H7 | N03 | C05 | H9 | 88.4° | 119.9° |
| H10 | C09 | C11 | H11 | 0.7° | 0.5° |
| H16 | C31 | C34 | H18 | 55.4° | 180.0° |
| H16 | C31 | C34 | H19 | 174.7° | 59.9° |
| H17 | C31 | C34 | H18 | 64.1° | 60.0° |
| H17 | C31 | C34 | H19 | 55.3° | 60.1° |
