FVC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | N08 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| N08 | C07 | sing | 1.32Å | 1.32Å | Aromatic |
| N13 | C12 | doub | 1.31Å | 1.32Å | Aromatic |
| N13 | C14 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.38Å | 1.34Å | Aromatic |
| C14 | C38 | doub | 1.41Å | 1.38Å | Aromatic |
| N15 | C16 | sing | 1.36Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.54Å | |
| C11 | C39 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.41Å | Aromatic |
| C38 | C17 | sing | 1.47Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.54Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| C06 | C40 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C02 | sing | 1.48Å | 1.53Å | |
| C18 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C37 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.37Å | 1.39Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.46Å | |
| N03 | C05 | sing | 1.47Å | 1.45Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C37 | C36 | doub | 1.37Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C32 | B33 | sing | 1.57Å | 1.57Å | |
| O35 | B33 | sing | 1.42Å | 1.34Å | |
| B33 | O34 | sing | 1.42Å | 1.34Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.08Å | 1.08Å | |
| C37 | H16 | sing | 1.08Å | 1.08Å | |
| C39 | H17 | sing | 1.08Å | 1.08Å | |
| C40 | H18 | sing | 1.08Å | 1.08Å | |
| N15 | H19 | sing | 0.97Å | 1.00Å | |
| O35 | H20 | sing | 0.97Å | 0.95Å | |
| O34 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N08 | C09 | C10 | 121.5° | 120.9° |
| C09 | N08 | C07 | 120.9° | 122.0° |
| N08 | C09 | H8 | 119.2° | 119.6° |
| C09 | C10 | C11 | 119.7° | 120.5° |
| C09 | C10 | C40 | 119.0° | 119.1° |
| C10 | C09 | H8 | 119.2° | 119.5° |
| N08 | C07 | C06 | 121.4° | 120.9° |
| N08 | C07 | H7 | 119.3° | 119.6° |
| C12 | N13 | C14 | 121.5° | 121.9° |
| N13 | C12 | C11 | 120.7° | 121.4° |
| N13 | C12 | H9 | 119.7° | 119.3° |
| N13 | C14 | N15 | 130.1° | 132.8° |
| N13 | C14 | C38 | 121.6° | 120.0° |
| C12 | C11 | C10 | 118.8° | 120.4° |
| C12 | C11 | C39 | 119.5° | 119.1° |
| C11 | C12 | H9 | 119.6° | 119.3° |
| N15 | C14 | C38 | 108.3° | 107.2° |
| C14 | N15 | C16 | 109.9° | 110.4° |
| C14 | N15 | H19 | 125.0° | 124.8° |
| C14 | C38 | C39 | 118.2° | 119.6° |
| C14 | C38 | C17 | 107.1° | 106.2° |
| N15 | C16 | C17 | 110.1° | 109.7° |
| N15 | C16 | H10 | 124.9° | 125.1° |
| C16 | N15 | H19 | 125.1° | 124.8° |
| C10 | C11 | C39 | 121.7° | 120.5° |
| C11 | C10 | C40 | 121.4° | 120.5° |
| C11 | C39 | C38 | 118.5° | 118.0° |
| C11 | C39 | H17 | 120.8° | 121.0° |
| C10 | C40 | C06 | 118.2° | 118.2° |
| C10 | C40 | H18 | 120.9° | 120.9° |
| C07 | C06 | C40 | 119.0° | 119.0° |
| C07 | C06 | C02 | 121.3° | 120.5° |
| C06 | C07 | H7 | 119.3° | 119.6° |
| C39 | C38 | C17 | 134.7° | 134.2° |
| C38 | C39 | H17 | 120.7° | 121.0° |
| C38 | C17 | C16 | 104.6° | 106.5° |
| C38 | C17 | C18 | 130.3° | 126.8° |
| C16 | C17 | C18 | 125.0° | 126.7° |
| C17 | C16 | H10 | 125.0° | 125.2° |
| C17 | C18 | C19 | 118.5° | 120.1° |
| C17 | C18 | C37 | 122.1° | 120.0° |
| C04 | N03 | C02 | 122.6° | 120.0° |
| C04 | N03 | C05 | 118.7° | 120.0° |
| N03 | C04 | H1 | 109.5° | 109.5° |
| N03 | C04 | H2 | 109.5° | 109.5° |
| N03 | C04 | H3 | 109.5° | 109.4° |
| C40 | C06 | C02 | 119.7° | 120.5° |
| C06 | C40 | H18 | 120.9° | 120.9° |
| C06 | C02 | N03 | 123.6° | 120.0° |
| C06 | C02 | O01 | 117.8° | 120.0° |
| C19 | C18 | C37 | 119.4° | 119.9° |
| C18 | C19 | C20 | 121.3° | 120.0° |
| C18 | C19 | H11 | 119.4° | 120.0° |
| C18 | C37 | C36 | 119.8° | 120.0° |
| C18 | C37 | H16 | 120.1° | 120.0° |
| C19 | C20 | C21 | 118.4° | 120.0° |
| C19 | C20 | C32 | 119.1° | 120.0° |
| C20 | C19 | H11 | 119.4° | 120.0° |
| C02 | N03 | C05 | 118.6° | 120.0° |
| N03 | C02 | O01 | 118.5° | 120.0° |
| N03 | C05 | H4 | 109.5° | 109.5° |
| N03 | C05 | H5 | 109.5° | 109.4° |
| N03 | C05 | H6 | 109.4° | 109.4° |
| C37 | C36 | C32 | 120.6° | 120.0° |
| C37 | C36 | H15 | 119.7° | 120.0° |
| C36 | C37 | H16 | 120.1° | 120.0° |
| C21 | C20 | C32 | 122.4° | 120.0° |
| C20 | C21 | H12 | 109.5° | 109.5° |
| C20 | C21 | H13 | 109.4° | 109.5° |
| C20 | C21 | H14 | 109.5° | 109.4° |
| C20 | C32 | C36 | 119.8° | 120.0° |
| C20 | C32 | B33 | 120.7° | 120.0° |
| C36 | C32 | B33 | 119.5° | 120.0° |
| C32 | C36 | H15 | 119.7° | 120.0° |
| C32 | B33 | O35 | 120.3° | 120.0° |
| C32 | B33 | O34 | 119.8° | 120.0° |
| O35 | B33 | O34 | 119.9° | 120.0° |
| B33 | O35 | H20 | 109.5° | 114.0° |
| B33 | O34 | H21 | 109.5° | 114.0° |
| H1 | C04 | H2 | 109.5° | 109.5° |
| H1 | C04 | H3 | 109.5° | 109.5° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H4 | C05 | H6 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.4° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H12 | C21 | H14 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N08 | C09 | C10 | H8 | 180.0° | 179.8° |
| N08 | C09 | C10 | C11 | 179.6° | 180.0° |
| N08 | C09 | C10 | C40 | 0.7° | 0.5° |
| C09 | N08 | C07 | C06 | 0.7° | 0.0° |
| C09 | N08 | C07 | H7 | 179.3° | 180.0° |
| C10 | C09 | N08 | C07 | 0.5° | 0.3° |
| C09 | C10 | C11 | C12 | 32.5° | 179.7° |
| C09 | C10 | C11 | C40 | 178.8° | 179.4° |
| C09 | C10 | C11 | C39 | 147.6° | 0.0° |
| C09 | C10 | C40 | C06 | 1.0° | 0.5° |
| C09 | C10 | C40 | H18 | 179.0° | 179.4° |
| N08 | C07 | C06 | H7 | 180.0° | 180.0° |
| N08 | C07 | C06 | C40 | 1.0° | 0.0° |
| N08 | C07 | C06 | C02 | 179.5° | 179.7° |
| C07 | N08 | C09 | H8 | 179.5° | 179.9° |
| N13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C12 | N13 | C14 | N15 | 179.9° | 180.0° |
| C12 | N13 | C14 | C38 | 0.2° | 0.2° |
| N13 | C12 | C11 | C10 | 179.8° | 180.0° |
| N13 | C12 | C11 | C39 | 0.1° | 0.2° |
| C14 | N13 | C12 | C11 | 0.1° | 0.0° |
| N13 | C14 | N15 | C38 | 179.9° | 179.8° |
| N13 | C14 | N15 | C16 | 179.8° | 179.8° |
| N13 | C14 | C38 | C39 | 0.1° | 0.2° |
| N13 | C14 | C38 | C17 | 179.6° | 179.8° |
| C14 | N13 | C12 | H9 | 179.9° | 180.0° |
| N13 | C14 | N15 | H19 | 0.2° | 0.2° |
| C12 | C11 | C10 | C39 | 179.9° | 179.7° |
| C12 | C11 | C10 | C40 | 146.3° | 0.9° |
| C12 | C11 | C39 | C38 | 0.0° | 0.2° |
| C12 | C11 | C39 | H17 | 180.0° | 179.7° |
| C14 | N15 | C16 | H19 | 180.0° | 180.0° |
| N15 | C14 | C38 | C39 | 180.0° | 180.0° |
| N15 | C14 | C38 | C17 | 0.5° | 0.0° |
| C14 | N15 | C16 | C17 | 0.6° | 0.0° |
| C14 | N15 | C16 | H10 | 179.4° | 180.0° |
| C38 | C14 | N15 | C16 | 0.1° | 0.0° |
| C14 | C38 | C39 | C11 | 0.0° | 0.0° |
| C14 | C38 | C39 | C17 | 179.3° | 180.0° |
| C14 | C38 | C17 | C16 | 0.8° | 0.0° |
| C14 | C38 | C17 | C18 | 179.0° | 180.0° |
| C14 | C38 | C39 | H17 | 180.0° | 180.0° |
| C38 | C14 | N15 | H19 | 179.9° | 180.0° |
| N15 | C16 | C17 | C38 | 0.9° | 0.0° |
| N15 | C16 | C17 | H10 | 180.0° | 180.0° |
| N15 | C16 | C17 | C18 | 179.2° | 180.0° |
| C10 | C11 | C39 | C38 | 179.9° | 179.9° |
| C11 | C10 | C40 | C06 | 179.8° | 179.9° |
| C11 | C10 | C09 | H8 | 0.4° | 0.2° |
| C10 | C11 | C12 | H9 | 0.2° | 0.0° |
| C10 | C11 | C39 | H17 | 0.1° | 0.0° |
| C11 | C10 | C40 | H18 | 0.2° | 0.0° |
| C39 | C11 | C10 | C40 | 33.6° | 179.4° |
| C11 | C39 | C38 | H17 | 180.0° | 180.0° |
| C11 | C39 | C38 | C17 | 179.3° | 180.0° |
| C39 | C11 | C12 | H9 | 179.9° | 179.7° |
| C10 | C40 | C06 | C07 | 1.2° | 0.3° |
| C10 | C40 | C06 | H18 | 180.0° | 179.9° |
| C10 | C40 | C06 | C02 | 179.7° | 180.0° |
| C40 | C10 | C09 | H8 | 179.3° | 179.7° |
| C07 | C06 | C40 | C02 | 178.5° | 179.7° |
| C07 | C06 | C02 | N03 | 60.9° | 22.5° |
| C07 | C06 | C02 | O01 | 119.2° | 157.5° |
| C07 | C06 | C40 | H18 | 178.8° | 179.7° |
| C39 | C38 | C17 | C16 | 179.8° | 180.0° |
| C39 | C38 | C17 | C18 | 1.6° | 0.0° |
| C38 | C17 | C16 | C18 | 178.3° | 180.0° |
| C38 | C17 | C18 | C19 | 168.8° | 130.0° |
| C38 | C17 | C18 | C37 | 11.4° | 50.3° |
| C38 | C17 | C16 | H10 | 179.1° | 180.0° |
| C17 | C38 | C39 | H17 | 0.7° | 0.1° |
| C16 | C17 | C18 | C19 | 13.3° | 50.0° |
| C16 | C17 | C18 | C37 | 166.5° | 129.7° |
| C17 | C16 | N15 | H19 | 179.3° | 180.0° |
| C17 | C18 | C19 | C37 | 179.8° | 179.7° |
| C17 | C18 | C19 | C20 | 179.8° | 180.0° |
| C17 | C18 | C37 | C36 | 179.7° | 179.7° |
| C18 | C17 | C16 | H10 | 0.8° | 0.0° |
| C17 | C18 | C19 | H11 | 0.2° | 0.0° |
| C17 | C18 | C37 | H16 | 0.3° | 0.1° |
| C04 | N03 | C02 | C06 | 0.0° | 175.2° |
| C04 | N03 | C02 | C05 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 179.9° | 4.8° |
| N03 | C04 | H1 | H2 | 120.0° | 120.0° |
| N03 | C04 | H1 | H3 | 120.0° | 119.9° |
| N03 | C04 | H2 | H3 | 120.0° | 120.0° |
| C04 | N03 | C05 | H4 | 180.0° | 11.9° |
| C04 | N03 | C05 | H5 | 60.0° | 108.1° |
| C04 | N03 | C05 | H6 | 60.0° | 131.9° |
| C40 | C06 | C02 | N03 | 120.7° | 157.7° |
| C40 | C06 | C02 | O01 | 59.3° | 22.3° |
| C40 | C06 | C07 | H7 | 178.9° | 180.0° |
| C06 | C02 | N03 | O01 | 180.0° | 180.0° |
| C06 | C02 | N03 | C05 | 180.0° | 4.8° |
| C02 | C06 | C07 | H7 | 0.4° | 0.3° |
| C02 | C06 | C40 | H18 | 0.3° | 0.1° |
| C18 | C19 | C20 | H11 | 180.0° | 180.0° |
| C19 | C18 | C37 | C36 | 0.1° | 0.6° |
| C18 | C19 | C20 | C21 | 179.0° | 180.0° |
| C18 | C19 | C20 | C32 | 1.0° | 0.1° |
| C19 | C18 | C37 | H16 | 179.9° | 179.8° |
| C37 | C18 | C19 | C20 | 0.4° | 0.3° |
| C18 | C37 | C36 | H16 | 180.0° | 179.6° |
| C18 | C37 | C36 | C32 | 0.0° | 0.6° |
| C37 | C18 | C19 | H11 | 179.6° | 179.7° |
| C18 | C37 | C36 | H15 | 180.0° | 179.6° |
| C19 | C20 | C21 | C32 | 177.9° | 179.9° |
| C19 | C20 | C32 | C36 | 1.0° | 0.1° |
| C19 | C20 | C32 | B33 | 179.3° | 180.0° |
| C19 | C20 | C21 | H12 | 90.9° | 95.7° |
| C19 | C20 | C21 | H13 | 149.1° | 144.3° |
| C19 | C20 | C21 | H14 | 29.1° | 24.3° |
| C02 | N03 | C04 | H1 | 180.0° | 90.0° |
| C02 | N03 | C04 | H2 | 60.0° | 150.0° |
| C02 | N03 | C04 | H3 | 60.0° | 30.0° |
| C02 | N03 | C05 | H4 | 0.0° | 168.1° |
| C02 | N03 | C05 | H5 | 120.0° | 71.9° |
| C02 | N03 | C05 | H6 | 120.0° | 48.1° |
| C05 | N03 | C02 | O01 | 0.1° | 175.2° |
| C05 | N03 | C04 | H1 | 0.0° | 90.0° |
| C05 | N03 | C04 | H2 | 120.0° | 30.0° |
| C05 | N03 | C04 | H3 | 120.0° | 150.0° |
| N03 | C05 | H4 | H5 | 120.0° | 119.9° |
| N03 | C05 | H4 | H6 | 120.0° | 120.0° |
| N03 | C05 | H5 | H6 | 120.0° | 119.9° |
| C37 | C36 | C32 | C20 | 0.6° | 0.3° |
| C37 | C36 | C32 | H15 | 180.0° | 179.8° |
| C37 | C36 | C32 | B33 | 179.8° | 179.7° |
| C21 | C20 | C32 | C36 | 179.0° | 180.0° |
| C21 | C20 | C32 | B33 | 1.4° | 0.1° |
| C21 | C20 | C19 | H11 | 1.0° | 0.0° |
| C20 | C21 | H12 | H13 | 120.0° | 120.0° |
| C20 | C21 | H12 | H14 | 120.0° | 120.0° |
| C20 | C21 | H13 | H14 | 120.0° | 120.0° |
| C20 | C32 | C36 | B33 | 179.6° | 179.9° |
| C20 | C32 | B33 | O35 | 119.2° | 158.8° |
| C20 | C32 | B33 | O34 | 63.0° | 21.5° |
| C32 | C20 | C19 | H11 | 179.0° | 179.9° |
| C32 | C20 | C21 | H12 | 91.1° | 84.2° |
| C32 | C20 | C21 | H13 | 28.9° | 35.8° |
| C32 | C20 | C21 | H14 | 148.9° | 155.8° |
| C20 | C32 | C36 | H15 | 179.4° | 179.9° |
| C36 | C32 | B33 | O35 | 60.4° | 21.1° |
| C36 | C32 | B33 | O34 | 117.4° | 158.6° |
| C32 | C36 | C37 | H16 | 180.0° | 179.8° |
| C32 | B33 | O35 | O34 | 177.8° | 179.7° |
| B33 | C32 | C36 | H15 | 0.2° | 0.0° |
| C32 | B33 | O35 | H20 | 180.0° | 179.7° |
| C32 | B33 | O34 | H21 | 180.0° | 180.0° |
| O35 | B33 | O34 | H21 | 2.2° | 0.2° |
| O34 | B33 | O35 | H20 | 2.2° | 0.0° |
| H1 | C04 | H2 | H3 | 120.0° | 120.0° |
| H4 | C05 | H5 | H6 | 120.0° | 120.1° |
| H10 | C16 | N15 | H19 | 0.7° | 0.0° |
| H12 | C21 | H13 | H14 | 120.0° | 120.0° |
| H15 | C36 | C37 | H16 | 0.0° | 0.0° |
