V6A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C07 | sing | 1.40Å | 1.29Å | |
| N04 | N05 | sing | 1.40Å | 1.42Å | |
| N04 | C13 | sing | 1.35Å | 1.45Å | |
| C16 | N06 | doub | 1.32Å | 1.31Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| N06 | C15 | sing | 1.32Å | 1.32Å | Aromatic |
| C17 | N07 | doub | 1.32Å | 1.32Å | Aromatic |
| C07 | F03 | sing | 1.40Å | 1.28Å | |
| C07 | F02 | sing | 1.40Å | 1.28Å | |
| C07 | C01 | sing | 1.51Å | 1.49Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| N07 | C14 | sing | 1.33Å | 1.32Å | Aromatic |
| C14 | N05 | sing | 1.39Å | 1.47Å | |
| F04 | C08 | sing | 1.40Å | 1.29Å | |
| C01 | C02 | doub | 1.38Å | 1.35Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.36Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.35Å | Aromatic |
| O01 | C13 | doub | 1.21Å | 1.18Å | |
| F05 | C08 | sing | 1.40Å | 1.29Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | doub | 1.39Å | 1.36Å | Aromatic |
| C03 | C08 | sing | 1.51Å | 1.48Å | |
| C03 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C08 | F06 | sing | 1.40Å | 1.30Å | |
| C05 | C04 | sing | 1.39Å | 1.36Å | Aromatic |
| C05 | C09 | sing | 1.48Å | 1.49Å | |
| C09 | N01 | sing | 1.34Å | 1.30Å | Aromatic |
| C09 | N03 | doub | 1.32Å | 1.27Å | Aromatic |
| N01 | C10 | doub | 1.31Å | 1.31Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N03 | N02 | sing | 1.41Å | 1.31Å | Aromatic |
| C10 | N02 | sing | 1.35Å | 1.27Å | Aromatic |
| N02 | C11 | sing | 1.47Å | 1.45Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C02 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| N04 | H12 | sing | 0.97Å | 1.00Å | |
| N05 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C07 | F03 | 109.4° | 109.4° |
| F01 | C07 | F02 | 106.1° | 109.4° |
| F01 | C07 | C01 | 113.0° | 109.5° |
| N05 | N04 | C13 | 119.6° | 120.0° |
| N04 | N05 | C14 | 120.3° | 120.0° |
| N05 | N04 | H12 | 120.2° | 120.0° |
| N04 | N05 | H13 | 106.7° | 120.0° |
| N04 | C13 | O01 | 120.0° | 120.0° |
| N04 | C13 | C12 | 120.3° | 120.0° |
| C13 | N04 | H12 | 120.2° | 120.0° |
| N06 | C16 | C17 | 118.9° | 120.2° |
| C16 | N06 | C15 | 119.5° | 120.1° |
| N06 | C16 | H7 | 120.6° | 120.0° |
| C16 | C17 | N07 | 122.3° | 120.1° |
| C17 | C16 | H7 | 120.6° | 119.9° |
| C16 | C17 | H8 | 118.9° | 119.9° |
| N06 | C15 | C14 | 121.7° | 119.9° |
| N06 | C15 | H6 | 119.1° | 120.1° |
| C17 | N07 | C14 | 118.6° | 119.9° |
| N07 | C17 | H8 | 118.9° | 120.0° |
| F03 | C07 | F02 | 105.1° | 109.5° |
| F03 | C07 | C01 | 111.3° | 109.5° |
| F02 | C07 | C01 | 111.5° | 109.4° |
| C07 | C01 | C02 | 118.6° | 119.9° |
| C07 | C01 | C06 | 120.8° | 120.0° |
| C15 | C14 | N07 | 119.0° | 119.8° |
| C15 | C14 | N05 | 120.3° | 120.1° |
| C14 | C15 | H6 | 119.2° | 120.0° |
| N07 | C14 | N05 | 120.7° | 120.1° |
| C14 | N05 | H13 | 106.7° | 120.0° |
| F04 | C08 | F05 | 105.2° | 109.5° |
| F04 | C08 | C03 | 117.1° | 109.5° |
| F04 | C08 | F06 | 103.6° | 109.5° |
| C02 | C01 | C06 | 120.6° | 120.1° |
| C01 | C02 | C03 | 118.6° | 120.2° |
| C01 | C02 | H9 | 120.7° | 119.9° |
| C01 | C06 | C05 | 120.8° | 119.9° |
| C01 | C06 | H11 | 119.6° | 120.0° |
| C02 | C03 | C08 | 118.7° | 119.9° |
| C02 | C03 | C04 | 121.7° | 120.2° |
| C03 | C02 | H9 | 120.7° | 119.9° |
| O01 | C13 | C12 | 119.8° | 120.1° |
| F05 | C08 | C03 | 108.8° | 109.4° |
| F05 | C08 | F06 | 114.1° | 109.5° |
| C13 | C12 | C11 | 113.3° | 109.4° |
| C13 | C12 | H4 | 108.5° | 109.5° |
| C13 | C12 | H5 | 108.5° | 109.5° |
| C06 | C05 | C04 | 119.3° | 119.8° |
| C06 | C05 | C09 | 117.9° | 120.1° |
| C05 | C06 | H11 | 119.6° | 120.1° |
| C08 | C03 | C04 | 119.7° | 119.9° |
| C03 | C08 | F06 | 108.2° | 109.5° |
| C03 | C04 | C05 | 119.0° | 119.9° |
| C03 | C04 | H10 | 120.5° | 120.0° |
| C04 | C05 | C09 | 122.8° | 120.1° |
| C05 | C04 | H10 | 120.5° | 120.1° |
| C05 | C09 | N01 | 124.0° | 125.7° |
| C05 | C09 | N03 | 128.9° | 125.6° |
| N01 | C09 | N03 | 107.0° | 108.7° |
| C09 | N01 | C10 | 108.7° | 109.8° |
| C09 | N03 | N02 | 108.9° | 106.7° |
| N01 | C10 | N02 | 107.1° | 108.3° |
| N01 | C10 | H1 | 126.5° | 125.8° |
| C12 | C11 | N02 | 112.9° | 109.4° |
| C12 | C11 | H2 | 108.6° | 109.5° |
| C12 | C11 | H3 | 108.6° | 109.4° |
| C11 | C12 | H4 | 108.5° | 109.5° |
| C11 | C12 | H5 | 108.5° | 109.5° |
| N03 | N02 | C10 | 108.4° | 106.5° |
| N03 | N02 | C11 | 127.5° | 126.7° |
| C10 | N02 | C11 | 124.1° | 126.7° |
| N02 | C10 | H1 | 126.5° | 125.9° |
| N02 | C11 | H2 | 108.6° | 109.5° |
| N02 | C11 | H3 | 108.6° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C07 | F03 | F02 | 113.5° | 120.0° |
| F01 | C07 | F03 | C01 | 125.7° | 120.0° |
| F01 | C07 | F02 | C01 | 123.4° | 119.9° |
| F01 | C07 | C01 | C02 | 70.7° | 120.0° |
| F01 | C07 | C01 | C06 | 109.0° | 60.3° |
| N05 | N04 | C13 | H12 | 180.0° | 180.0° |
| N04 | N05 | C14 | C15 | 159.5° | 180.0° |
| N04 | N05 | C14 | N07 | 20.6° | 0.3° |
| N04 | N05 | C14 | H13 | 121.5° | 179.9° |
| N05 | N04 | C13 | O01 | 179.6° | 0.0° |
| N05 | N04 | C13 | C12 | 0.1° | 180.0° |
| C13 | N04 | N05 | C14 | 92.1° | 180.0° |
| N04 | C13 | O01 | C12 | 179.6° | 180.0° |
| N04 | C13 | C12 | C11 | 128.4° | 180.0° |
| N04 | C13 | C12 | H4 | 7.8° | 60.0° |
| N04 | C13 | C12 | H5 | 111.1° | 60.0° |
| C13 | N04 | N05 | H13 | 29.4° | 0.1° |
| N06 | C16 | C17 | H7 | 180.0° | 179.9° |
| N06 | C16 | C17 | N07 | 0.2° | 0.2° |
| C16 | N06 | C15 | C14 | 0.3° | 0.1° |
| C16 | N06 | C15 | H6 | 179.7° | 179.9° |
| N06 | C16 | C17 | H8 | 179.9° | 179.9° |
| C17 | C16 | N06 | C15 | 0.1° | 0.2° |
| C16 | C17 | N07 | H8 | 180.0° | 179.7° |
| C16 | C17 | N07 | C14 | 0.2° | 0.0° |
| N06 | C15 | C14 | H6 | 180.0° | 180.0° |
| N06 | C15 | C14 | N07 | 0.3° | 0.3° |
| N06 | C15 | C14 | N05 | 179.6° | 180.0° |
| C15 | N06 | C16 | H7 | 179.9° | 180.0° |
| C17 | N07 | C14 | C15 | 0.1° | 0.3° |
| C17 | N07 | C14 | N05 | 179.8° | 179.9° |
| N07 | C17 | C16 | H7 | 179.8° | 179.9° |
| F03 | C07 | F02 | C01 | 120.7° | 120.1° |
| F03 | C07 | C01 | C02 | 165.7° | 0.0° |
| F03 | C07 | C01 | C06 | 14.6° | 179.8° |
| F02 | C07 | C01 | C02 | 48.7° | 120.1° |
| F02 | C07 | C01 | C06 | 131.6° | 59.7° |
| C07 | C01 | C02 | C06 | 179.7° | 179.8° |
| C07 | C01 | C02 | C03 | 179.7° | 179.7° |
| C07 | C01 | C06 | C05 | 179.9° | 179.7° |
| C07 | C01 | C02 | H9 | 0.3° | 0.2° |
| C07 | C01 | C06 | H11 | 0.1° | 0.3° |
| C15 | C14 | N07 | N05 | 179.9° | 179.7° |
| C15 | C14 | N05 | H13 | 79.0° | 0.1° |
| N07 | C14 | C15 | H6 | 179.7° | 179.7° |
| C14 | N07 | C17 | H8 | 179.9° | 179.7° |
| N07 | C14 | N05 | H13 | 100.9° | 179.8° |
| N05 | C14 | C15 | H6 | 0.4° | 0.0° |
| C14 | N05 | N04 | H12 | 87.9° | 0.1° |
| F04 | C08 | C03 | C02 | 20.8° | 120.0° |
| F04 | C08 | F05 | C03 | 126.3° | 120.0° |
| F04 | C08 | F05 | F06 | 112.8° | 120.0° |
| F04 | C08 | C03 | F06 | 116.5° | 120.0° |
| F04 | C08 | C03 | C04 | 161.0° | 60.0° |
| C01 | C02 | C03 | H9 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 0.4° | 0.0° |
| C01 | C02 | C03 | C08 | 179.2° | 180.0° |
| C01 | C02 | C03 | C04 | 0.9° | 0.0° |
| C02 | C01 | C06 | H11 | 179.6° | 179.9° |
| C06 | C01 | C02 | C03 | 0.0° | 0.0° |
| C01 | C06 | C05 | H11 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.1° | 0.0° |
| C01 | C06 | C05 | C09 | 179.5° | 180.0° |
| C06 | C01 | C02 | H9 | 180.0° | 180.0° |
| C02 | C03 | C08 | F05 | 139.8° | 120.0° |
| C02 | C03 | C08 | C04 | 178.3° | 180.0° |
| C02 | C03 | C08 | F06 | 95.7° | 0.0° |
| C02 | C03 | C04 | C05 | 1.4° | 0.0° |
| C02 | C03 | C04 | H10 | 178.6° | 180.0° |
| O01 | C13 | C12 | C11 | 52.0° | 0.0° |
| O01 | C13 | C12 | H4 | 172.6° | 120.0° |
| O01 | C13 | C12 | H5 | 68.6° | 120.0° |
| O01 | C13 | N04 | H12 | 0.4° | 180.0° |
| F05 | C08 | C03 | F06 | 124.4° | 120.0° |
| F05 | C08 | C03 | C04 | 41.9° | 60.0° |
| C13 | C12 | C11 | H4 | 120.6° | 120.0° |
| C13 | C12 | C11 | H5 | 120.6° | 120.0° |
| C13 | C12 | C11 | N02 | 26.8° | 180.0° |
| C13 | C12 | C11 | H2 | 147.3° | 60.0° |
| C13 | C12 | C11 | H3 | 93.7° | 60.1° |
| C13 | C12 | H4 | H5 | 118.2° | 120.0° |
| C12 | C13 | N04 | H12 | 179.9° | 0.0° |
| C06 | C05 | C04 | C03 | 1.0° | 0.0° |
| C06 | C05 | C04 | C09 | 179.3° | 179.9° |
| C06 | C05 | C09 | N01 | 5.7° | 179.9° |
| C06 | C05 | C09 | N03 | 174.5° | 0.2° |
| C06 | C05 | C04 | H10 | 179.0° | 180.0° |
| C08 | C03 | C04 | C05 | 179.6° | 180.0° |
| C08 | C03 | C02 | H9 | 0.8° | 0.0° |
| C08 | C03 | C04 | H10 | 0.4° | 0.0° |
| C04 | C03 | C08 | F06 | 82.5° | 180.0° |
| C03 | C04 | C05 | H10 | 180.0° | 180.0° |
| C03 | C04 | C05 | C09 | 179.7° | 180.0° |
| C04 | C03 | C02 | H9 | 179.1° | 180.0° |
| C04 | C05 | C09 | N01 | 173.6° | 0.0° |
| C04 | C05 | C09 | N03 | 6.2° | 179.7° |
| C04 | C05 | C06 | H11 | 179.9° | 180.0° |
| C05 | C09 | N01 | N03 | 179.8° | 179.8° |
| C05 | C09 | N01 | C10 | 179.6° | 180.0° |
| C05 | C09 | N03 | N02 | 179.5° | 179.9° |
| C09 | C05 | C04 | H10 | 0.3° | 0.1° |
| C09 | C05 | C06 | H11 | 0.5° | 0.1° |
| N01 | C09 | N03 | N02 | 0.3° | 0.4° |
| C09 | N01 | C10 | N02 | 0.1° | 0.0° |
| C09 | N01 | C10 | H1 | 179.9° | 179.7° |
| N03 | C09 | N01 | C10 | 0.3° | 0.2° |
| C09 | N03 | N02 | C10 | 0.3° | 0.4° |
| C09 | N03 | N02 | C11 | 178.7° | 179.6° |
| N01 | C10 | N02 | N03 | 0.1° | 0.2° |
| N01 | C10 | N02 | H1 | 180.0° | 179.7° |
| N01 | C10 | N02 | C11 | 178.9° | 179.7° |
| C12 | C11 | N02 | N03 | 103.2° | 55.0° |
| C12 | C11 | N02 | C10 | 78.0° | 125.0° |
| C12 | C11 | N02 | H2 | 120.5° | 120.0° |
| C12 | C11 | N02 | H3 | 120.5° | 119.9° |
| C12 | C11 | H2 | H3 | 118.4° | 120.0° |
| C11 | C12 | H4 | H5 | 118.3° | 120.0° |
| N03 | N02 | C10 | C11 | 179.0° | 180.0° |
| N03 | N02 | C10 | H1 | 179.9° | 179.9° |
| N03 | N02 | C11 | H2 | 136.3° | 175.0° |
| N03 | N02 | C11 | H3 | 17.3° | 64.9° |
| C10 | N02 | C11 | H2 | 42.5° | 5.0° |
| C10 | N02 | C11 | H3 | 161.5° | 115.0° |
| C11 | N02 | C10 | H1 | 1.1° | 0.0° |
| N02 | C11 | H2 | H3 | 118.4° | 120.0° |
| N02 | C11 | C12 | H4 | 93.8° | 60.0° |
| N02 | C11 | C12 | H5 | 147.4° | 60.0° |
| H2 | C11 | C12 | H4 | 26.7° | 60.0° |
| H2 | C11 | C12 | H5 | 92.1° | 180.0° |
| H3 | C11 | C12 | H4 | 145.7° | 180.0° |
| H3 | C11 | C12 | H5 | 26.9° | 60.0° |
| H7 | C16 | C17 | H8 | 0.2° | 0.2° |
| H12 | N04 | N05 | H13 | 150.6° | 180.0° |
