GVX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C16 | doub | 1.21Å | 1.30Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | N14 | sing | 1.46Å | 1.44Å | |
| C16 | O17 | sing | 1.34Å | 1.29Å | |
| O13 | C12 | doub | 1.21Å | 1.20Å | |
| N14 | C12 | sing | 1.35Å | 1.44Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C19 | C11 | sing | 1.53Å | 1.51Å | |
| C19 | S20 | sing | 1.81Å | 1.78Å | |
| C11 | N10 | sing | 1.46Å | 1.42Å | |
| N10 | C08 | sing | 1.35Å | 1.44Å | |
| C29 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| S20 | C21 | sing | 1.76Å | 1.81Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C08 | O09 | doub | 1.21Å | 1.23Å | |
| C07 | C06 | sing | 1.53Å | 1.57Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.29Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| N23 | C21 | sing | 1.35Å | 1.49Å | |
| N23 | C24 | sing | 1.46Å | 1.43Å | |
| C21 | S22 | doub | 1.71Å | 1.67Å | |
| C31 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.58Å | |
| C02 | C04 | sing | 1.51Å | 1.52Å | |
| C02 | O01 | sing | 1.34Å | 1.26Å | |
| C04 | C06 | sing | 1.53Å | 1.51Å | |
| C04 | N05 | sing | 1.47Å | 1.42Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| N05 | H3 | sing | 1.01Å | 1.00Å | |
| N05 | H4 | sing | 1.01Å | 1.00Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N14 | H12 | sing | 0.97Å | 1.00Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| O17 | H15 | sing | 0.97Å | 0.95Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| N23 | H18 | sing | 0.97Å | 1.00Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C16 | C15 | 119.3° | 120.0° |
| O18 | C16 | O17 | 120.4° | 120.0° |
| C16 | C15 | N14 | 114.0° | 109.5° |
| C15 | C16 | O17 | 120.3° | 120.0° |
| C16 | C15 | H13 | 108.3° | 109.4° |
| C16 | C15 | H14 | 108.3° | 109.5° |
| C15 | N14 | C12 | 117.8° | 120.0° |
| C15 | N14 | H12 | 121.1° | 120.1° |
| N14 | C15 | H13 | 108.3° | 109.5° |
| N14 | C15 | H14 | 108.3° | 109.5° |
| C16 | O17 | H15 | 109.5° | 117.0° |
| O13 | C12 | N14 | 119.8° | 120.0° |
| O13 | C12 | C11 | 119.4° | 120.0° |
| N14 | C12 | C11 | 120.8° | 120.0° |
| C12 | N14 | H12 | 121.1° | 120.0° |
| C12 | C11 | C19 | 109.1° | 109.5° |
| C12 | C11 | N10 | 108.9° | 109.5° |
| C12 | C11 | H11 | 110.1° | 109.4° |
| C11 | C19 | S20 | 114.3° | 109.5° |
| C19 | C11 | N10 | 106.0° | 109.5° |
| C19 | C11 | H11 | 110.6° | 109.5° |
| C11 | C19 | H16 | 108.2° | 109.5° |
| C11 | C19 | H17 | 108.2° | 109.5° |
| C19 | S20 | C21 | 109.6° | 100.0° |
| S20 | C19 | H16 | 108.3° | 109.5° |
| S20 | C19 | H17 | 108.2° | 109.5° |
| C11 | N10 | C08 | 120.7° | 120.0° |
| C11 | N10 | H10 | 119.7° | 120.0° |
| N10 | C11 | H11 | 112.0° | 109.5° |
| N10 | C08 | C07 | 117.6° | 120.0° |
| N10 | C08 | O09 | 120.4° | 120.0° |
| C08 | N10 | H10 | 119.7° | 120.0° |
| C28 | C29 | C30 | 120.0° | 120.0° |
| C29 | C28 | C27 | 120.4° | 120.0° |
| C29 | C28 | H24 | 119.8° | 120.0° |
| C28 | C29 | H25 | 120.0° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C30 | C29 | H25 | 120.0° | 120.0° |
| C29 | C30 | H26 | 120.1° | 119.9° |
| C28 | C27 | C26 | 119.5° | 120.0° |
| C28 | C27 | H23 | 120.3° | 120.0° |
| C27 | C28 | H24 | 119.8° | 120.0° |
| S20 | C21 | N23 | 117.7° | 120.0° |
| S20 | C21 | S22 | 121.3° | 120.0° |
| C07 | C08 | O09 | 122.1° | 120.0° |
| C08 | C07 | C06 | 112.5° | 109.5° |
| C08 | C07 | H8 | 108.7° | 109.4° |
| C08 | C07 | H9 | 108.7° | 109.5° |
| C07 | C06 | C04 | 108.3° | 109.5° |
| C07 | C06 | H6 | 109.7° | 109.4° |
| C07 | C06 | H7 | 109.8° | 109.5° |
| C06 | C07 | H8 | 108.7° | 109.4° |
| C06 | C07 | H9 | 108.7° | 109.5° |
| C30 | C31 | C26 | 120.3° | 120.0° |
| C31 | C30 | H26 | 120.1° | 120.1° |
| C30 | C31 | H27 | 119.9° | 120.0° |
| O03 | C02 | C04 | 121.5° | 120.0° |
| O03 | C02 | O01 | 119.8° | 120.0° |
| C27 | C26 | C31 | 120.0° | 120.0° |
| C27 | C26 | C25 | 119.8° | 120.0° |
| C26 | C27 | H23 | 120.2° | 120.0° |
| C21 | N23 | C24 | 121.6° | 120.0° |
| N23 | C21 | S22 | 120.5° | 120.0° |
| C21 | N23 | H18 | 119.2° | 120.0° |
| N23 | C24 | C25 | 110.8° | 109.5° |
| C24 | N23 | H18 | 119.2° | 120.0° |
| N23 | C24 | H19 | 109.2° | 109.4° |
| N23 | C24 | H20 | 109.1° | 109.5° |
| C31 | C26 | C25 | 120.2° | 120.0° |
| C26 | C31 | H27 | 119.8° | 120.0° |
| C26 | C25 | C24 | 111.3° | 109.5° |
| C26 | C25 | H21 | 109.0° | 109.4° |
| C26 | C25 | H22 | 109.0° | 109.5° |
| C04 | C02 | O01 | 118.7° | 120.0° |
| C02 | C04 | C06 | 107.1° | 109.5° |
| C02 | C04 | N05 | 111.1° | 109.5° |
| C02 | C04 | H2 | 109.4° | 109.5° |
| C02 | O01 | H1 | 109.5° | 116.9° |
| C06 | C04 | N05 | 108.6° | 109.4° |
| C06 | C04 | H2 | 109.6° | 109.5° |
| C04 | C06 | H6 | 109.8° | 109.4° |
| C04 | C06 | H7 | 109.8° | 109.4° |
| N05 | C04 | H2 | 110.8° | 109.4° |
| C04 | N05 | H3 | 109.5° | 111.0° |
| C04 | N05 | H4 | 109.4° | 111.0° |
| C25 | C24 | H19 | 109.1° | 109.4° |
| C25 | C24 | H20 | 109.2° | 109.5° |
| C24 | C25 | H21 | 109.0° | 109.4° |
| C24 | C25 | H22 | 109.0° | 109.5° |
| H3 | N05 | H4 | 109.5° | 111.0° |
| H6 | C06 | H7 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C16 | C15 | O17 | 179.1° | 180.0° |
| O18 | C16 | C15 | N14 | 169.0° | 0.0° |
| O18 | C16 | C15 | H13 | 70.3° | 120.0° |
| O18 | C16 | C15 | H14 | 48.3° | 120.0° |
| O18 | C16 | O17 | H15 | 0.0° | 0.0° |
| C16 | C15 | N14 | H13 | 120.7° | 119.9° |
| C16 | C15 | N14 | H14 | 120.7° | 120.0° |
| C16 | C15 | N14 | C12 | 108.2° | 180.0° |
| C16 | C15 | N14 | H12 | 71.8° | 0.0° |
| C16 | C15 | H13 | H14 | 117.9° | 120.0° |
| C15 | C16 | O17 | H15 | 179.1° | 180.0° |
| N14 | C15 | C16 | O17 | 11.9° | 180.0° |
| C15 | N14 | C12 | O13 | 1.8° | 0.1° |
| C15 | N14 | C12 | H12 | 180.0° | 180.0° |
| C15 | N14 | C12 | C11 | 178.1° | 180.0° |
| N14 | C15 | H13 | H14 | 117.9° | 120.1° |
| O17 | C16 | C15 | H13 | 108.8° | 60.1° |
| O17 | C16 | C15 | H14 | 132.5° | 59.9° |
| O13 | C12 | N14 | C11 | 179.9° | 179.9° |
| O13 | C12 | C11 | C19 | 81.7° | 120.0° |
| O13 | C12 | C11 | N10 | 33.6° | 0.1° |
| O13 | C12 | C11 | H11 | 156.7° | 120.1° |
| O13 | C12 | N14 | H12 | 178.2° | 180.0° |
| N14 | C12 | C11 | C19 | 98.1° | 60.0° |
| N14 | C12 | C11 | N10 | 146.6° | 180.0° |
| N14 | C12 | C11 | H11 | 23.4° | 60.0° |
| C12 | N14 | C15 | H13 | 12.5° | 60.1° |
| C12 | N14 | C15 | H14 | 131.1° | 60.0° |
| C12 | C11 | C19 | N10 | 117.1° | 120.0° |
| C12 | C11 | C19 | H11 | 121.3° | 120.0° |
| C12 | C11 | C19 | S20 | 169.6° | 179.9° |
| C12 | C11 | N10 | H11 | 122.0° | 120.0° |
| C12 | C11 | N10 | C08 | 130.5° | 85.0° |
| C12 | C11 | N10 | H10 | 49.5° | 95.1° |
| C11 | C12 | N14 | H12 | 1.9° | 0.0° |
| C12 | C11 | C19 | H16 | 48.9° | 60.0° |
| C12 | C11 | C19 | H17 | 69.7° | 60.0° |
| C11 | C19 | S20 | H16 | 120.7° | 120.1° |
| C11 | C19 | S20 | H17 | 120.7° | 120.0° |
| C19 | C11 | N10 | H11 | 120.7° | 120.0° |
| C19 | C11 | N10 | C08 | 112.2° | 155.0° |
| C11 | C19 | S20 | C21 | 92.0° | 180.0° |
| C19 | C11 | N10 | H10 | 67.8° | 25.0° |
| C11 | C19 | H16 | H17 | 117.8° | 120.0° |
| S20 | C19 | C11 | N10 | 52.5° | 60.0° |
| C19 | S20 | C21 | N23 | 2.4° | 179.9° |
| C19 | S20 | C21 | S22 | 169.5° | 0.0° |
| S20 | C19 | C11 | H11 | 69.1° | 60.0° |
| S20 | C19 | H16 | H17 | 117.8° | 120.0° |
| C11 | N10 | C08 | H10 | 180.0° | 180.0° |
| C11 | N10 | C08 | C07 | 178.2° | 180.0° |
| C11 | N10 | C08 | O09 | 2.6° | 0.0° |
| N10 | C11 | C19 | H16 | 68.2° | 60.0° |
| N10 | C11 | C19 | H17 | 173.2° | 180.0° |
| N10 | C08 | C07 | O09 | 179.2° | 179.9° |
| N10 | C08 | C07 | C06 | 175.3° | 180.0° |
| N10 | C08 | C07 | H8 | 64.3° | 60.1° |
| N10 | C08 | C07 | H9 | 54.8° | 59.9° |
| C08 | N10 | C11 | H11 | 8.4° | 35.0° |
| C28 | C29 | C30 | H25 | 180.0° | 180.0° |
| C29 | C28 | C27 | H24 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.3° | 0.2° |
| C29 | C28 | C27 | C26 | 0.1° | 0.1° |
| C29 | C28 | C27 | H23 | 179.9° | 180.0° |
| C28 | C29 | C30 | H26 | 179.7° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.1° |
| C29 | C30 | C31 | H26 | 180.0° | 179.8° |
| C29 | C30 | C31 | C26 | 0.2° | 0.5° |
| C30 | C29 | C28 | H24 | 179.9° | 180.0° |
| C29 | C30 | C31 | H27 | 179.8° | 180.0° |
| C28 | C27 | C26 | H23 | 180.0° | 180.0° |
| C28 | C27 | C26 | C31 | 0.1° | 0.2° |
| C28 | C27 | C26 | C25 | 179.7° | 180.0° |
| C27 | C28 | C29 | H25 | 179.9° | 179.9° |
| S20 | C21 | N23 | S22 | 171.9° | 180.0° |
| S20 | C21 | N23 | C24 | 160.8° | 180.0° |
| C21 | S20 | C19 | H16 | 147.3° | 60.0° |
| C21 | S20 | C19 | H17 | 28.7° | 60.0° |
| S20 | C21 | N23 | H18 | 19.2° | 0.0° |
| C08 | C07 | C06 | H8 | 120.4° | 119.9° |
| C08 | C07 | C06 | H9 | 120.4° | 120.1° |
| C08 | C07 | C06 | C04 | 174.6° | 180.0° |
| C08 | C07 | C06 | H6 | 65.6° | 60.1° |
| C08 | C07 | C06 | H7 | 54.8° | 60.0° |
| C08 | C07 | H8 | H9 | 118.6° | 120.0° |
| C07 | C08 | N10 | H10 | 1.8° | 0.1° |
| O09 | C08 | C07 | C06 | 5.5° | 0.1° |
| O09 | C08 | C07 | H8 | 114.9° | 120.0° |
| O09 | C08 | C07 | H9 | 126.0° | 120.0° |
| O09 | C08 | N10 | H10 | 177.4° | 180.0° |
| C07 | C06 | C04 | C02 | 75.1° | 175.0° |
| C07 | C06 | C04 | H6 | 119.8° | 120.0° |
| C07 | C06 | C04 | H7 | 119.8° | 120.0° |
| C07 | C06 | C04 | N05 | 164.7° | 65.0° |
| C07 | C06 | C04 | H2 | 43.4° | 55.0° |
| C07 | C06 | H6 | H7 | 120.5° | 120.1° |
| C06 | C07 | H8 | H9 | 118.6° | 120.0° |
| C30 | C31 | C26 | C27 | 0.0° | 0.5° |
| C30 | C31 | C26 | H27 | 180.0° | 179.5° |
| C30 | C31 | C26 | C25 | 179.5° | 179.7° |
| C31 | C30 | C29 | H25 | 179.7° | 179.8° |
| O03 | C02 | C04 | O01 | 179.2° | 180.0° |
| O03 | C02 | C04 | C06 | 87.8° | 100.0° |
| O03 | C02 | C04 | N05 | 153.7° | 20.0° |
| O03 | C02 | O01 | H1 | 0.0° | 0.0° |
| O03 | C02 | C04 | H2 | 30.9° | 140.0° |
| C27 | C26 | C31 | C25 | 179.5° | 179.7° |
| C27 | C26 | C25 | C24 | 43.3° | 90.0° |
| C27 | C26 | C25 | H21 | 77.0° | 30.0° |
| C27 | C26 | C25 | H22 | 163.6° | 150.0° |
| C26 | C27 | C28 | H24 | 179.9° | 180.0° |
| C27 | C26 | C31 | H27 | 180.0° | 179.9° |
| C21 | N23 | C24 | H18 | 180.0° | 179.9° |
| C21 | N23 | C24 | C25 | 99.6° | 180.0° |
| C21 | N23 | C24 | H19 | 20.6° | 60.1° |
| C21 | N23 | C24 | H20 | 140.2° | 60.0° |
| C24 | N23 | C21 | S22 | 27.3° | 0.1° |
| N23 | C24 | C25 | C26 | 64.4° | 180.0° |
| N23 | C24 | C25 | H19 | 120.2° | 119.9° |
| N23 | C24 | C25 | H20 | 120.2° | 120.0° |
| N23 | C24 | H19 | H20 | 119.3° | 120.0° |
| N23 | C24 | C25 | H21 | 175.3° | 60.1° |
| N23 | C24 | C25 | H22 | 55.8° | 60.0° |
| S22 | C21 | N23 | H18 | 152.7° | 180.0° |
| C31 | C26 | C25 | C24 | 136.2° | 90.3° |
| C31 | C26 | C25 | H21 | 103.5° | 149.8° |
| C31 | C26 | C25 | H22 | 15.9° | 29.7° |
| C31 | C26 | C27 | H23 | 179.9° | 179.7° |
| C26 | C31 | C30 | H26 | 179.8° | 179.7° |
| C26 | C25 | C24 | H21 | 120.3° | 119.9° |
| C26 | C25 | C24 | H22 | 120.3° | 120.0° |
| C26 | C25 | C24 | H19 | 175.3° | 60.1° |
| C26 | C25 | C24 | H20 | 55.7° | 60.0° |
| C26 | C25 | H21 | H22 | 119.1° | 120.0° |
| C25 | C26 | C27 | H23 | 0.4° | 0.0° |
| C25 | C26 | C31 | H27 | 0.5° | 0.2° |
| C02 | C04 | C06 | N05 | 120.2° | 120.0° |
| C02 | C04 | C06 | H2 | 118.6° | 120.0° |
| C02 | C04 | N05 | H2 | 121.9° | 120.0° |
| C04 | C02 | O01 | H1 | 179.2° | 180.0° |
| C02 | C04 | N05 | H3 | 180.0° | 63.9° |
| C02 | C04 | N05 | H4 | 60.0° | 60.0° |
| C02 | C04 | C06 | H6 | 44.6° | 65.0° |
| C02 | C04 | C06 | H7 | 165.0° | 55.0° |
| O01 | C02 | C04 | C06 | 93.0° | 80.0° |
| O01 | C02 | C04 | N05 | 25.6° | 160.0° |
| O01 | C02 | C04 | H2 | 148.3° | 40.0° |
| C06 | C04 | N05 | H2 | 120.5° | 120.0° |
| C06 | C04 | N05 | H3 | 62.3° | 176.0° |
| C06 | C04 | N05 | H4 | 177.7° | 60.0° |
| C04 | C06 | H6 | H7 | 120.6° | 120.0° |
| C04 | C06 | C07 | H8 | 54.1° | 60.0° |
| C04 | C06 | C07 | H9 | 65.0° | 60.0° |
| C04 | N05 | H3 | H4 | 120.0° | 124.0° |
| N05 | C04 | C06 | H6 | 75.5° | 55.0° |
| N05 | C04 | C06 | H7 | 44.9° | 175.0° |
| C25 | C24 | N23 | H18 | 80.4° | 0.1° |
| C25 | C24 | H19 | H20 | 119.4° | 120.0° |
| C24 | C25 | H21 | H22 | 119.2° | 120.0° |
| H2 | C04 | N05 | H3 | 58.1° | 56.1° |
| H2 | C04 | N05 | H4 | 61.8° | 180.0° |
| H2 | C04 | C06 | H6 | 163.2° | 174.9° |
| H2 | C04 | C06 | H7 | 76.4° | 65.1° |
| H6 | C06 | C07 | H8 | 174.0° | 180.0° |
| H6 | C06 | C07 | H9 | 54.8° | 60.0° |
| H7 | C06 | C07 | H8 | 65.7° | 59.9° |
| H7 | C06 | C07 | H9 | 175.2° | 179.9° |
| H10 | N10 | C11 | H11 | 171.5° | 145.0° |
| H11 | C11 | C19 | H16 | 170.2° | 180.0° |
| H11 | C11 | C19 | H17 | 51.6° | 60.0° |
| H12 | N14 | C15 | H13 | 167.5° | 120.0° |
| H12 | N14 | C15 | H14 | 48.8° | 120.0° |
| H18 | N23 | C24 | H19 | 159.4° | 120.0° |
| H18 | N23 | C24 | H20 | 39.8° | 120.0° |
| H19 | C24 | C25 | H21 | 55.0° | 180.0° |
| H19 | C24 | C25 | H22 | 64.4° | 60.0° |
| H20 | C24 | C25 | H21 | 64.6° | 60.0° |
| H20 | C24 | C25 | H22 | 176.0° | 180.0° |
| H23 | C27 | C28 | H24 | 0.0° | 0.1° |
| H24 | C28 | C29 | H25 | 0.1° | 0.0° |
| H25 | C29 | C30 | H26 | 0.3° | 0.0° |
| H26 | C30 | C31 | H27 | 0.2° | 0.1° |
