V6X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N10 | sing | 1.33Å | 1.33Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.39Å | Aromatic |
| N10 | C09 | doub | 1.32Å | 1.36Å | Aromatic |
| C12 | N13 | sing | 1.36Å | 1.36Å | Aromatic |
| C09 | N13 | sing | 1.37Å | 1.30Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.43Å | Aromatic |
| N13 | C04 | sing | 1.38Å | 1.36Å | Aromatic |
| C08 | N07 | doub | 1.31Å | 1.33Å | Aromatic |
| C20 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C20 | N19 | sing | 1.32Å | 1.33Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.53Å | |
| N07 | C05 | sing | 1.33Å | 1.33Å | Aromatic |
| N19 | C18 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | O26 | sing | 1.34Å | 1.34Å | Aromatic |
| C22 | C23 | doub | 1.41Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | O17 | sing | 1.36Å | 1.40Å | |
| O26 | C25 | sing | 1.35Å | 1.31Å | Aromatic |
| C16 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | O17 | sing | 1.36Å | 1.41Å | |
| C23 | C24 | sing | 1.47Å | 1.47Å | Aromatic |
| C25 | C24 | doub | 1.34Å | 1.40Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C11 | C12 | 107.0° | 108.6° |
| C11 | N10 | C09 | 108.1° | 109.1° |
| N10 | C11 | H12 | 126.5° | 125.7° |
| C11 | C12 | N13 | 107.1° | 107.1° |
| C12 | C11 | H12 | 126.5° | 125.7° |
| C11 | C12 | H13 | 126.4° | 126.4° |
| N10 | C09 | N13 | 109.8° | 108.0° |
| N10 | C09 | C08 | 129.5° | 133.2° |
| C12 | N13 | C09 | 108.0° | 107.1° |
| C12 | N13 | C04 | 133.7° | 133.8° |
| N13 | C12 | H13 | 126.5° | 126.4° |
| N13 | C09 | C08 | 120.7° | 118.9° |
| C09 | N13 | C04 | 118.3° | 119.1° |
| C09 | C08 | N07 | 120.7° | 120.0° |
| C09 | C08 | H11 | 119.6° | 120.0° |
| N13 | C04 | C05 | 121.3° | 119.5° |
| N13 | C04 | C03 | 119.1° | 120.2° |
| C08 | N07 | C05 | 118.9° | 121.6° |
| N07 | C08 | H11 | 119.7° | 120.1° |
| C21 | C20 | N19 | 121.2° | 121.7° |
| C20 | C21 | C22 | 119.8° | 119.1° |
| C21 | C20 | H2 | 119.4° | 119.1° |
| C20 | C21 | H3 | 120.1° | 120.4° |
| C20 | N19 | C18 | 121.1° | 122.0° |
| N19 | C20 | H2 | 119.4° | 119.2° |
| C21 | C22 | O26 | 133.9° | 134.6° |
| C21 | C22 | C23 | 116.9° | 118.0° |
| C22 | C21 | H3 | 120.1° | 120.4° |
| C05 | C04 | C03 | 119.7° | 120.3° |
| C04 | C05 | N07 | 120.1° | 121.0° |
| C04 | C05 | C06 | 120.0° | 119.5° |
| C04 | C03 | C14 | 120.1° | 120.1° |
| C04 | C03 | C02 | 119.9° | 120.1° |
| N07 | C05 | C06 | 119.9° | 119.5° |
| N19 | C18 | C23 | 120.6° | 119.8° |
| N19 | C18 | O17 | 120.2° | 120.1° |
| C03 | C14 | C15 | 119.9° | 119.9° |
| C14 | C03 | C02 | 120.1° | 119.8° |
| C03 | C14 | H14 | 120.1° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C14 | C15 | H1 | 120.0° | 120.0° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C05 | C06 | H8 | 109.5° | 109.5° |
| C05 | C06 | H9 | 109.5° | 109.5° |
| C05 | C06 | H10 | 109.5° | 109.5° |
| C03 | C02 | C01 | 120.1° | 120.0° |
| C03 | C02 | C27 | 120.0° | 119.9° |
| O26 | C22 | C23 | 109.2° | 107.3° |
| C22 | O26 | C25 | 111.2° | 110.9° |
| C22 | C23 | C18 | 120.4° | 119.2° |
| C22 | C23 | C24 | 105.3° | 105.5° |
| C15 | C16 | C27 | 120.0° | 120.2° |
| C15 | C16 | O17 | 120.5° | 119.9° |
| C16 | C15 | H1 | 120.0° | 120.0° |
| C01 | C02 | C27 | 119.9° | 120.0° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.4° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C27 | C16 | 120.0° | 120.1° |
| C02 | C27 | H16 | 120.0° | 120.0° |
| C23 | C18 | O17 | 119.2° | 120.1° |
| C18 | C23 | C24 | 134.3° | 135.3° |
| C18 | O17 | C16 | 110.8° | 118.0° |
| O26 | C25 | C24 | 109.8° | 110.1° |
| O26 | C25 | H15 | 125.1° | 124.9° |
| C27 | C16 | O17 | 119.5° | 119.9° |
| C16 | C27 | H16 | 120.0° | 120.0° |
| C23 | C24 | C25 | 104.4° | 106.2° |
| C23 | C24 | H4 | 127.8° | 126.9° |
| C25 | C24 | H4 | 127.8° | 126.9° |
| C24 | C25 | H15 | 125.1° | 125.0° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.4° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.5° | 109.4° |
| H8 | C06 | H10 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C11 | C12 | H12 | 180.0° | 180.0° |
| N10 | C11 | C12 | N13 | 0.0° | 0.0° |
| C11 | N10 | C09 | N13 | 0.1° | 0.0° |
| C11 | N10 | C09 | C08 | 180.0° | 179.9° |
| N10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C12 | C11 | N10 | C09 | 0.1° | 0.0° |
| C11 | C12 | N13 | H13 | 180.0° | 179.9° |
| C11 | C12 | N13 | C09 | 0.1° | 0.1° |
| C11 | C12 | N13 | C04 | 179.9° | 179.4° |
| N10 | C09 | N13 | C12 | 0.1° | 0.0° |
| N10 | C09 | N13 | C08 | 179.9° | 179.9° |
| N10 | C09 | N13 | C04 | 180.0° | 179.5° |
| N10 | C09 | C08 | N07 | 179.9° | 179.2° |
| N10 | C09 | C08 | H11 | 0.1° | 0.3° |
| C09 | N10 | C11 | H12 | 179.9° | 180.0° |
| C12 | N13 | C09 | C04 | 179.9° | 179.6° |
| C12 | N13 | C09 | C08 | 180.0° | 180.0° |
| C12 | N13 | C04 | C05 | 180.0° | 179.4° |
| C12 | N13 | C04 | C03 | 0.2° | 0.3° |
| N13 | C12 | C11 | H12 | 180.0° | 180.0° |
| N13 | C09 | C08 | N07 | 0.0° | 0.7° |
| C09 | N13 | C04 | C05 | 0.2° | 0.1° |
| C09 | N13 | C04 | C03 | 180.0° | 179.8° |
| N13 | C09 | C08 | H11 | 180.0° | 179.8° |
| C09 | N13 | C12 | H13 | 179.9° | 180.0° |
| C08 | C09 | N13 | C04 | 0.1° | 0.4° |
| C09 | C08 | N07 | H11 | 180.0° | 179.5° |
| C09 | C08 | N07 | C05 | 0.0° | 0.5° |
| N13 | C04 | C05 | C03 | 179.8° | 179.7° |
| N13 | C04 | C05 | N07 | 0.1° | 0.3° |
| N13 | C04 | C03 | C14 | 101.2° | 75.0° |
| N13 | C04 | C05 | C06 | 179.9° | 179.7° |
| N13 | C04 | C03 | C02 | 78.6° | 104.7° |
| C04 | N13 | C12 | H13 | 0.1° | 0.5° |
| C08 | N07 | C05 | C04 | 0.1° | 0.0° |
| C08 | N07 | C05 | C06 | 180.0° | 180.0° |
| C21 | C20 | N19 | H2 | 180.0° | 179.6° |
| C20 | C21 | C22 | H3 | 180.0° | 179.9° |
| C21 | C20 | N19 | C18 | 0.1° | 0.0° |
| C20 | C21 | C22 | O26 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.1° |
| N19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C20 | N19 | C18 | C23 | 0.1° | 0.0° |
| C20 | N19 | C18 | O17 | 179.9° | 180.0° |
| N19 | C20 | C21 | H3 | 179.9° | 180.0° |
| C21 | C22 | O26 | C23 | 180.0° | 179.9° |
| C21 | C22 | C23 | C18 | 0.0° | 0.0° |
| C21 | C22 | O26 | C25 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C22 | C21 | C20 | H2 | 180.0° | 179.7° |
| C04 | C05 | N07 | C06 | 179.9° | 180.0° |
| C05 | C04 | C03 | C14 | 79.0° | 105.3° |
| C05 | C04 | C03 | C02 | 101.2° | 75.0° |
| C04 | C05 | C06 | H8 | 179.9° | 90.0° |
| C04 | C05 | C06 | H9 | 59.9° | 150.0° |
| C04 | C05 | C06 | H10 | 60.1° | 30.0° |
| C03 | C04 | C05 | N07 | 180.0° | 180.0° |
| C04 | C03 | C14 | C02 | 179.9° | 179.7° |
| C04 | C03 | C14 | C15 | 180.0° | 179.7° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C04 | C03 | C02 | C27 | 179.9° | 179.5° |
| C04 | C03 | C14 | H14 | 0.0° | 0.2° |
| N07 | C05 | C06 | H8 | 0.0° | 89.9° |
| N07 | C05 | C06 | H9 | 120.0° | 30.1° |
| N07 | C05 | C06 | H10 | 120.0° | 150.1° |
| C05 | N07 | C08 | H11 | 180.0° | 180.0° |
| N19 | C18 | C23 | C22 | 0.1° | 0.0° |
| N19 | C18 | C23 | O17 | 179.9° | 179.9° |
| N19 | C18 | O17 | C16 | 0.2° | 5.8° |
| N19 | C18 | C23 | C24 | 180.0° | 179.9° |
| C18 | N19 | C20 | H2 | 179.9° | 179.7° |
| C03 | C14 | C15 | H14 | 180.0° | 180.0° |
| C03 | C14 | C15 | C16 | 0.3° | 0.1° |
| C14 | C03 | C02 | C01 | 180.0° | 179.7° |
| C14 | C03 | C02 | C27 | 0.0° | 0.9° |
| C03 | C14 | C15 | H1 | 179.7° | 179.7° |
| C15 | C14 | C03 | C02 | 0.1° | 0.6° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | C27 | 0.3° | 0.2° |
| C14 | C15 | C16 | O17 | 179.9° | 179.7° |
| C05 | C06 | H8 | H9 | 120.0° | 120.0° |
| C05 | C06 | H8 | H10 | 120.0° | 120.0° |
| C05 | C06 | H9 | H10 | 120.0° | 120.0° |
| C03 | C02 | C01 | C27 | 180.0° | 179.5° |
| C03 | C02 | C27 | C16 | 0.1° | 0.6° |
| C03 | C02 | C01 | H5 | 90.0° | 90.6° |
| C03 | C02 | C01 | H6 | 150.0° | 29.5° |
| C03 | C02 | C01 | H7 | 30.0° | 149.4° |
| C02 | C03 | C14 | H14 | 179.9° | 179.4° |
| C03 | C02 | C27 | H16 | 179.9° | 179.9° |
| O26 | C22 | C23 | C18 | 180.0° | 180.0° |
| O26 | C22 | C23 | C24 | 0.0° | 0.0° |
| C22 | O26 | C25 | C24 | 0.1° | 0.1° |
| O26 | C22 | C21 | H3 | 0.0° | 0.1° |
| C22 | O26 | C25 | H15 | 179.9° | 180.0° |
| C22 | C23 | C18 | C24 | 179.9° | 180.0° |
| C22 | C23 | C18 | O17 | 180.0° | 180.0° |
| C23 | C22 | O26 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.1° |
| C23 | C22 | C21 | H3 | 179.9° | 180.0° |
| C22 | C23 | C24 | H4 | 180.0° | 179.9° |
| C15 | C16 | C27 | C02 | 0.2° | 0.0° |
| C15 | C16 | O17 | C18 | 78.7° | 70.7° |
| C15 | C16 | C27 | O17 | 179.6° | 179.9° |
| C16 | C15 | C14 | H14 | 179.7° | 180.0° |
| C15 | C16 | C27 | H16 | 179.8° | 179.5° |
| C01 | C02 | C27 | C16 | 179.9° | 180.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.1° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | C27 | H16 | 0.1° | 0.5° |
| C02 | C27 | C16 | H16 | 180.0° | 179.5° |
| C02 | C27 | C16 | O17 | 179.8° | 180.0° |
| C27 | C02 | C01 | H5 | 90.0° | 89.9° |
| C27 | C02 | C01 | H6 | 30.0° | 150.0° |
| C27 | C02 | C01 | H7 | 150.0° | 30.0° |
| C23 | C18 | O17 | C16 | 179.9° | 174.1° |
| C18 | C23 | C24 | C25 | 179.9° | 180.0° |
| C18 | C23 | C24 | H4 | 0.1° | 0.1° |
| C18 | O17 | C16 | C27 | 101.7° | 109.4° |
| O17 | C18 | C23 | C24 | 0.0° | 0.0° |
| O26 | C25 | C24 | C23 | 0.1° | 0.1° |
| O26 | C25 | C24 | H15 | 180.0° | 179.9° |
| O26 | C25 | C24 | H4 | 179.9° | 179.9° |
| C27 | C16 | C15 | H1 | 179.7° | 180.0° |
| O17 | C16 | C15 | H1 | 0.0° | 0.0° |
| O17 | C16 | C27 | H16 | 0.2° | 0.6° |
| C23 | C24 | C25 | H4 | 180.0° | 179.9° |
| C23 | C24 | C25 | H15 | 180.0° | 180.0° |
| H1 | C15 | C14 | H14 | 0.3° | 0.3° |
| H2 | C20 | C21 | H3 | 0.0° | 0.4° |
| H4 | C24 | C25 | H15 | 0.1° | 0.1° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H8 | C06 | H9 | H10 | 120.0° | 120.0° |
| H12 | C11 | C12 | H13 | 0.0° | 0.0° |
