6CD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | N21 | sing | 1.47Å | 1.45Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| N21 | C20 | sing | 1.37Å | 1.46Å | |
| C19 | N18 | sing | 1.46Å | 1.48Å | |
| C20 | N18 | sing | 1.36Å | 1.35Å | |
| C20 | N26 | doub | 1.31Å | 1.40Å | |
| N18 | C16 | sing | 1.35Å | 1.40Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| N26 | C27 | sing | 1.35Å | 1.42Å | |
| C16 | O17 | doub | 1.22Å | 1.22Å | |
| C16 | C15 | sing | 1.47Å | 1.46Å | |
| C02 | C10 | sing | 1.51Å | 1.51Å | |
| C02 | N03 | sing | 1.47Å | 1.43Å | |
| N09 | C10 | sing | 1.35Å | 1.38Å | Aromatic |
| N09 | C08 | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C15 | doub | 1.41Å | 1.37Å | Aromatic |
| C27 | C11 | sing | 1.41Å | 1.49Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.47Å | Aromatic |
| N03 | C04 | sing | 1.35Å | 1.43Å | |
| C08 | C11 | sing | 1.48Å | 1.41Å | |
| C08 | C07 | doub | 1.36Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C04 | sing | 1.47Å | 1.50Å | |
| C06 | C07 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | O05 | doub | 1.22Å | 1.24Å | |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| N03 | H5 | sing | 0.97Å | 1.00Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| N09 | H7 | sing | 0.97Å | 1.00Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| N21 | H14 | sing | 0.97Å | 1.00Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C25 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C22 | N21 | 107.0° | 109.4° |
| C25 | C22 | C24 | 108.3° | 109.5° |
| C25 | C22 | C23 | 108.7° | 109.5° |
| C22 | C25 | H21 | 109.5° | 109.5° |
| C22 | C25 | H22 | 109.5° | 109.5° |
| C22 | C25 | H23 | 109.5° | 109.4° |
| N21 | C22 | C24 | 111.0° | 109.5° |
| N21 | C22 | C23 | 109.6° | 109.5° |
| C22 | N21 | C20 | 126.0° | 120.0° |
| C22 | N21 | H14 | 117.0° | 120.0° |
| C24 | C22 | C23 | 112.1° | 109.4° |
| C22 | C24 | H18 | 109.5° | 109.5° |
| C22 | C24 | H19 | 109.5° | 109.4° |
| C22 | C24 | H20 | 109.5° | 109.5° |
| C22 | C23 | H15 | 109.5° | 109.5° |
| C22 | C23 | H16 | 109.4° | 109.5° |
| C22 | C23 | H17 | 109.5° | 109.5° |
| N21 | C20 | N18 | 119.1° | 118.4° |
| N21 | C20 | N26 | 119.7° | 118.5° |
| C20 | N21 | H14 | 117.0° | 120.0° |
| C19 | N18 | C20 | 121.8° | 119.8° |
| C19 | N18 | C16 | 119.4° | 119.8° |
| N18 | C19 | H11 | 109.5° | 109.4° |
| N18 | C19 | H12 | 109.5° | 109.4° |
| N18 | C19 | H13 | 109.5° | 109.5° |
| N18 | C20 | N26 | 121.2° | 123.1° |
| C20 | N18 | C16 | 118.8° | 120.4° |
| C20 | N26 | C27 | 122.4° | 121.6° |
| N18 | C16 | O17 | 119.8° | 121.3° |
| N18 | C16 | C15 | 120.8° | 117.5° |
| C01 | C02 | C10 | 114.1° | 110.1° |
| C01 | C02 | N03 | 110.9° | 110.1° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 107.6° | 110.1° |
| N26 | C27 | C15 | 117.1° | 119.3° |
| N26 | C27 | C11 | 127.1° | 121.6° |
| O17 | C16 | C15 | 119.5° | 121.2° |
| C16 | C15 | C27 | 119.7° | 118.1° |
| C16 | C15 | C14 | 119.8° | 121.8° |
| C10 | C02 | N03 | 107.2° | 106.1° |
| C02 | C10 | N09 | 143.6° | 145.1° |
| C02 | C10 | C06 | 108.6° | 106.5° |
| C10 | C02 | H4 | 107.9° | 110.1° |
| C02 | N03 | C04 | 108.4° | 108.3° |
| N03 | C02 | H4 | 108.9° | 110.2° |
| C02 | N03 | H5 | 125.8° | 125.8° |
| C10 | N09 | C08 | 110.6° | 109.2° |
| N09 | C10 | C06 | 107.8° | 108.4° |
| C10 | N09 | H7 | 124.7° | 125.4° |
| N09 | C08 | C11 | 131.1° | 125.7° |
| N09 | C08 | C07 | 106.7° | 108.5° |
| C08 | N09 | H7 | 124.7° | 125.4° |
| C10 | C06 | C04 | 107.8° | 108.8° |
| C10 | C06 | C07 | 107.4° | 106.8° |
| C15 | C27 | C11 | 115.8° | 119.2° |
| C27 | C15 | C14 | 120.4° | 120.1° |
| C27 | C11 | C08 | 108.6° | 120.3° |
| C27 | C11 | C12 | 124.3° | 119.4° |
| C15 | C14 | C13 | 121.5° | 119.9° |
| C15 | C14 | H10 | 119.2° | 120.0° |
| N03 | C04 | C06 | 108.0° | 110.3° |
| N03 | C04 | O05 | 125.6° | 124.9° |
| C04 | N03 | H5 | 125.8° | 125.9° |
| C11 | C08 | C07 | 122.2° | 125.8° |
| C08 | C11 | C12 | 127.0° | 120.3° |
| C08 | C07 | C06 | 107.4° | 107.1° |
| C08 | C07 | H6 | 126.3° | 126.5° |
| C11 | C12 | C13 | 117.9° | 120.6° |
| C11 | C12 | H8 | 121.0° | 119.7° |
| C04 | C06 | C07 | 144.8° | 144.4° |
| C06 | C04 | O05 | 126.4° | 124.8° |
| C06 | C07 | H6 | 126.3° | 126.4° |
| C14 | C13 | C12 | 120.0° | 120.8° |
| C14 | C13 | H9 | 120.0° | 119.6° |
| C13 | C14 | H10 | 119.3° | 120.1° |
| C13 | C12 | H8 | 121.0° | 119.7° |
| C12 | C13 | H9 | 120.0° | 119.6° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.4° | 109.5° |
| H11 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.4° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H23 | 109.4° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C22 | N21 | C24 | 118.0° | 120.0° |
| C25 | C22 | N21 | C23 | 117.7° | 120.0° |
| C25 | C22 | C24 | C23 | 119.9° | 120.0° |
| C25 | C22 | N21 | C20 | 175.3° | 176.9° |
| C25 | C22 | N21 | H14 | 4.6° | 3.0° |
| C25 | C22 | C23 | H15 | 180.0° | 180.0° |
| C25 | C22 | C23 | H16 | 60.0° | 60.0° |
| C25 | C22 | C23 | H17 | 60.0° | 60.1° |
| C25 | C22 | C24 | H18 | 180.0° | 63.3° |
| C25 | C22 | C24 | H19 | 60.0° | 56.6° |
| C25 | C22 | C24 | H20 | 60.0° | 176.7° |
| C22 | C25 | H21 | H22 | 120.0° | 120.0° |
| C22 | C25 | H21 | H23 | 120.0° | 120.0° |
| C22 | C25 | H22 | H23 | 120.0° | 119.9° |
| N21 | C22 | C24 | C23 | 122.9° | 120.0° |
| C22 | N21 | C20 | H14 | 180.0° | 179.9° |
| C22 | N21 | C20 | N18 | 173.9° | 174.8° |
| C22 | N21 | C20 | N26 | 7.0° | 5.2° |
| N21 | C22 | C23 | H15 | 63.4° | 60.0° |
| N21 | C22 | C23 | H16 | 56.6° | 180.0° |
| N21 | C22 | C23 | H17 | 176.6° | 59.9° |
| N21 | C22 | C24 | H18 | 62.8° | 56.7° |
| N21 | C22 | C24 | H19 | 177.2° | 176.6° |
| N21 | C22 | C24 | H20 | 57.2° | 63.3° |
| N21 | C22 | C25 | H21 | 180.0° | 60.0° |
| N21 | C22 | C25 | H22 | 60.0° | 180.0° |
| N21 | C22 | C25 | H23 | 60.0° | 60.1° |
| C24 | C22 | N21 | C20 | 57.3° | 63.0° |
| C24 | C22 | N21 | H14 | 122.6° | 117.1° |
| C24 | C22 | C23 | H15 | 60.3° | 60.0° |
| C24 | C22 | C23 | H16 | 179.7° | 60.0° |
| C24 | C22 | C23 | H17 | 59.7° | 179.9° |
| C22 | C24 | H18 | H19 | 120.0° | 119.9° |
| C22 | C24 | H18 | H20 | 120.0° | 120.1° |
| C22 | C24 | H19 | H20 | 120.0° | 120.1° |
| C24 | C22 | C25 | H21 | 60.2° | 180.0° |
| C24 | C22 | C25 | H22 | 179.8° | 60.0° |
| C24 | C22 | C25 | H23 | 59.7° | 59.9° |
| C23 | C22 | N21 | C20 | 67.0° | 57.0° |
| C23 | C22 | N21 | H14 | 113.0° | 123.0° |
| C22 | C23 | H15 | H16 | 120.0° | 120.1° |
| C22 | C23 | H15 | H17 | 120.0° | 119.9° |
| C22 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C22 | C24 | H18 | 60.1° | 176.7° |
| C23 | C22 | C24 | H19 | 60.0° | 63.4° |
| C23 | C22 | C24 | H20 | 179.9° | 56.7° |
| C23 | C22 | C25 | H21 | 61.8° | 60.0° |
| C23 | C22 | C25 | H22 | 58.2° | 60.0° |
| C23 | C22 | C25 | H23 | 178.2° | 179.9° |
| N21 | C20 | N18 | C19 | 0.7° | 0.1° |
| N21 | C20 | N18 | N26 | 179.1° | 179.9° |
| N21 | C20 | N18 | C16 | 179.3° | 180.0° |
| N21 | C20 | N26 | C27 | 179.4° | 179.8° |
| C19 | N18 | C20 | C16 | 180.0° | 179.9° |
| C19 | N18 | C20 | N26 | 179.8° | 180.0° |
| C19 | N18 | C16 | O17 | 0.2° | 0.0° |
| C19 | N18 | C16 | C15 | 179.9° | 180.0° |
| N18 | C19 | H11 | H12 | 120.0° | 119.9° |
| N18 | C19 | H11 | H13 | 120.0° | 120.0° |
| N18 | C19 | H12 | H13 | 120.0° | 120.0° |
| N18 | C20 | N26 | C27 | 0.3° | 0.3° |
| C20 | N18 | C16 | O17 | 179.8° | 179.9° |
| C20 | N18 | C16 | C15 | 0.0° | 0.1° |
| C20 | N18 | C19 | H11 | 180.0° | 179.9° |
| C20 | N18 | C19 | H12 | 60.0° | 60.0° |
| C20 | N18 | C19 | H13 | 60.0° | 60.1° |
| N18 | C20 | N21 | H14 | 6.1° | 5.3° |
| N26 | C20 | N18 | C16 | 0.3° | 0.1° |
| C20 | N26 | C27 | C15 | 0.1° | 0.5° |
| C20 | N26 | C27 | C11 | 179.9° | 179.8° |
| N26 | C20 | N21 | H14 | 173.0° | 174.8° |
| N18 | C16 | O17 | C15 | 179.8° | 180.0° |
| N18 | C16 | C15 | C27 | 0.3° | 0.2° |
| N18 | C16 | C15 | C14 | 179.5° | 180.0° |
| C16 | N18 | C19 | H11 | 0.0° | 0.0° |
| C16 | N18 | C19 | H12 | 120.0° | 120.0° |
| C16 | N18 | C19 | H13 | 120.0° | 120.0° |
| C01 | C02 | C10 | N03 | 123.3° | 119.2° |
| C01 | C02 | C10 | H4 | 119.5° | 121.6° |
| C01 | C02 | N03 | H4 | 118.2° | 121.6° |
| C01 | C02 | C10 | N09 | 56.2° | 60.9° |
| C01 | C02 | C10 | C06 | 123.2° | 119.2° |
| C01 | C02 | N03 | C04 | 125.3° | 119.2° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | N03 | H5 | 54.7° | 60.9° |
| N26 | C27 | C15 | C16 | 0.2° | 0.4° |
| N26 | C27 | C15 | C11 | 179.8° | 179.4° |
| N26 | C27 | C15 | C14 | 179.6° | 179.8° |
| N26 | C27 | C11 | C08 | 1.3° | 0.4° |
| N26 | C27 | C11 | C12 | 178.9° | 179.8° |
| O17 | C16 | C15 | C27 | 180.0° | 179.8° |
| O17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C16 | C15 | C27 | C14 | 179.8° | 179.8° |
| C16 | C15 | C27 | C11 | 179.7° | 179.8° |
| C16 | C15 | C14 | C13 | 179.7° | 180.0° |
| C16 | C15 | C14 | H10 | 0.3° | 0.0° |
| C10 | C02 | N03 | H4 | 116.5° | 119.2° |
| C02 | C10 | N09 | C06 | 179.4° | 180.0° |
| C02 | C10 | N09 | C08 | 179.9° | 180.0° |
| C10 | C02 | N03 | C04 | 0.0° | 0.0° |
| C02 | C10 | C06 | C04 | 0.1° | 0.0° |
| C02 | C10 | C06 | C07 | 179.9° | 180.0° |
| C10 | C02 | C01 | H1 | 180.0° | 60.0° |
| C10 | C02 | C01 | H2 | 60.0° | 180.0° |
| C10 | C02 | C01 | H3 | 60.0° | 60.0° |
| C10 | C02 | N03 | H5 | 180.0° | 180.0° |
| C02 | C10 | N09 | H7 | 0.0° | 0.0° |
| N03 | C02 | C10 | N09 | 179.5° | 180.0° |
| N03 | C02 | C10 | C06 | 0.1° | 0.0° |
| C02 | N03 | C04 | H5 | 180.0° | 180.0° |
| C02 | N03 | C04 | C06 | 0.1° | 0.0° |
| C02 | N03 | C04 | O05 | 179.3° | 179.9° |
| N03 | C02 | C01 | H1 | 58.7° | 56.7° |
| N03 | C02 | C01 | H2 | 178.7° | 63.2° |
| N03 | C02 | C01 | H3 | 61.3° | 176.7° |
| C10 | N09 | C08 | H7 | 180.0° | 180.0° |
| C10 | N09 | C08 | C11 | 178.7° | 180.0° |
| C10 | N09 | C08 | C07 | 0.7° | 0.0° |
| N09 | C10 | C06 | C04 | 179.7° | 180.0° |
| N09 | C10 | C06 | C07 | 0.3° | 0.0° |
| N09 | C10 | C02 | H4 | 63.4° | 60.7° |
| C08 | N09 | C10 | C06 | 0.7° | 0.0° |
| N09 | C08 | C11 | C27 | 0.8° | 132.6° |
| N09 | C08 | C11 | C07 | 177.7° | 179.9° |
| N09 | C08 | C11 | C12 | 176.7° | 47.2° |
| N09 | C08 | C07 | C06 | 0.5° | 0.0° |
| N09 | C08 | C07 | H6 | 179.5° | 180.0° |
| C10 | C06 | C04 | N03 | 0.1° | 0.1° |
| C10 | C06 | C07 | C08 | 0.1° | 0.0° |
| C10 | C06 | C04 | C07 | 179.9° | 179.9° |
| C10 | C06 | C04 | O05 | 179.3° | 180.0° |
| C06 | C10 | C02 | H4 | 117.2° | 119.3° |
| C10 | C06 | C07 | H6 | 179.9° | 180.0° |
| C06 | C10 | N09 | H7 | 179.4° | 180.0° |
| C15 | C27 | C11 | C08 | 178.9° | 179.7° |
| C15 | C27 | C11 | C12 | 1.3° | 0.4° |
| C27 | C15 | C14 | C13 | 0.1° | 0.2° |
| C27 | C15 | C14 | H10 | 179.9° | 179.8° |
| C11 | C27 | C15 | C14 | 0.6° | 0.4° |
| C27 | C11 | C08 | C12 | 177.5° | 179.8° |
| C27 | C11 | C08 | C07 | 178.5° | 47.3° |
| C27 | C11 | C12 | C13 | 1.3° | 0.2° |
| C27 | C11 | C12 | H8 | 178.8° | 179.8° |
| C15 | C14 | C13 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C15 | C14 | C13 | H9 | 179.9° | 179.9° |
| N03 | C04 | C06 | O05 | 179.4° | 179.9° |
| N03 | C04 | C06 | C07 | 179.9° | 179.9° |
| C04 | N03 | C02 | H4 | 116.5° | 119.2° |
| C11 | C08 | C07 | C06 | 178.8° | 180.0° |
| C08 | C11 | C12 | C13 | 178.4° | 179.9° |
| C11 | C08 | C07 | H6 | 1.3° | 0.0° |
| C11 | C08 | N09 | H7 | 1.3° | 0.0° |
| C08 | C11 | C12 | H8 | 1.6° | 0.0° |
| C07 | C08 | C11 | C12 | 1.0° | 132.9° |
| C08 | C07 | C06 | C04 | 179.8° | 179.9° |
| C08 | C07 | C06 | H6 | 180.0° | 180.0° |
| C07 | C08 | N09 | H7 | 179.3° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C11 | C12 | C13 | H8 | 180.0° | 179.9° |
| C11 | C12 | C13 | H9 | 179.5° | 179.9° |
| C06 | C04 | N03 | H5 | 179.9° | 180.0° |
| C04 | C06 | C07 | H6 | 0.2° | 0.1° |
| C07 | C06 | C04 | O05 | 0.7° | 0.2° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C14 | C13 | C12 | H8 | 179.5° | 179.9° |
| O05 | C04 | N03 | H5 | 0.6° | 0.1° |
| C12 | C13 | C14 | H10 | 179.8° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 60.3° | 178.4° |
| H2 | C01 | C02 | H4 | 59.7° | 58.4° |
| H3 | C01 | C02 | H4 | 179.7° | 61.6° |
| H4 | C02 | N03 | H5 | 63.5° | 60.8° |
| H8 | C12 | C13 | H9 | 0.5° | 0.0° |
| H9 | C13 | C14 | H10 | 0.1° | 0.1° |
| H11 | C19 | H12 | H13 | 119.9° | 120.1° |
| H15 | C23 | H16 | H17 | 120.0° | 119.9° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
