9GX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C01 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C01 | C02 | sing | 1.50Å | 1.49Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| O04 | C03 | doub | 1.22Å | 1.26Å | |
| C02 | C03 | sing | 1.41Å | 1.43Å | |
| C02 | C22 | doub | 1.36Å | 1.37Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C03 | N05 | sing | 1.35Å | 1.41Å | |
| C22 | N21 | sing | 1.34Å | 1.39Å | |
| N05 | C06 | sing | 1.36Å | 1.40Å | |
| N21 | C06 | doub | 1.32Å | 1.34Å | |
| C06 | N07 | sing | 1.37Å | 1.37Å | |
| N07 | C20 | sing | 1.47Å | 1.51Å | |
| N07 | C08 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.50Å | |
| C19 | N10 | sing | 1.47Å | 1.49Å | |
| C09 | N10 | sing | 1.47Å | 1.48Å | |
| N10 | C11 | sing | 1.40Å | 1.42Å | |
| C11 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| O13 | C12 | sing | 1.36Å | 1.39Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C12 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| N05 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C25 | C24 | 111.2° | 108.3° |
| C25 | C01 | C02 | 113.8° | 110.6° |
| C25 | C01 | H5 | 108.4° | 109.2° |
| C25 | C01 | H6 | 108.4° | 109.2° |
| C01 | C25 | H22 | 109.0° | 109.7° |
| C01 | C25 | H23 | 109.1° | 109.7° |
| C25 | C24 | C23 | 112.7° | 108.4° |
| C25 | C24 | H20 | 108.7° | 109.7° |
| C25 | C24 | H21 | 108.6° | 109.7° |
| C24 | C25 | H22 | 109.1° | 109.7° |
| C24 | C25 | H23 | 109.0° | 109.7° |
| C01 | C02 | C03 | 120.2° | 118.1° |
| C01 | C02 | C22 | 123.8° | 123.0° |
| C02 | C01 | H5 | 108.4° | 109.2° |
| C02 | C01 | H6 | 108.4° | 109.2° |
| C24 | C23 | C22 | 117.5° | 110.6° |
| C24 | C23 | H18 | 107.4° | 109.3° |
| C24 | C23 | H19 | 107.5° | 109.2° |
| C23 | C24 | H20 | 108.6° | 109.6° |
| C23 | C24 | H21 | 108.7° | 109.7° |
| O04 | C03 | C02 | 126.3° | 120.5° |
| O04 | C03 | N05 | 112.5° | 120.4° |
| C03 | C02 | C22 | 116.0° | 118.9° |
| C02 | C03 | N05 | 121.2° | 119.1° |
| C02 | C22 | C23 | 119.3° | 122.6° |
| C02 | C22 | N21 | 123.4° | 119.6° |
| C23 | C22 | N21 | 117.3° | 117.7° |
| C22 | C23 | H18 | 107.4° | 109.3° |
| C22 | C23 | H19 | 107.4° | 109.3° |
| C03 | N05 | C06 | 117.8° | 119.5° |
| C03 | N05 | H24 | 121.1° | 120.3° |
| C22 | N21 | C06 | 119.8° | 121.9° |
| N05 | C06 | N21 | 121.8° | 121.0° |
| N05 | C06 | N07 | 117.6° | 119.5° |
| C06 | N05 | H24 | 121.1° | 120.2° |
| N21 | C06 | N07 | 120.7° | 119.5° |
| C06 | N07 | C20 | 125.6° | 120.9° |
| C06 | N07 | C08 | 123.7° | 120.9° |
| C20 | N07 | C08 | 110.7° | 118.2° |
| N07 | C20 | C19 | 117.0° | 108.5° |
| N07 | C20 | H16 | 107.6° | 109.6° |
| N07 | C20 | H17 | 107.5° | 109.7° |
| N07 | C08 | C09 | 114.1° | 108.5° |
| N07 | C08 | H7 | 108.3° | 109.6° |
| N07 | C08 | H8 | 108.3° | 109.8° |
| C20 | C19 | N10 | 113.1° | 109.4° |
| C20 | C19 | H14 | 108.6° | 109.5° |
| C20 | C19 | H15 | 108.5° | 109.5° |
| C19 | C20 | H16 | 107.5° | 109.7° |
| C19 | C20 | H17 | 107.6° | 109.6° |
| C08 | C09 | N10 | 111.6° | 109.4° |
| C09 | C08 | H7 | 108.3° | 109.6° |
| C09 | C08 | H8 | 108.3° | 109.6° |
| C08 | C09 | H9 | 108.9° | 109.5° |
| C08 | C09 | H10 | 109.0° | 109.5° |
| C19 | N10 | C09 | 108.0° | 111.3° |
| C19 | N10 | C11 | 116.8° | 111.0° |
| N10 | C19 | H14 | 108.6° | 109.5° |
| N10 | C19 | H15 | 108.6° | 109.5° |
| C09 | N10 | C11 | 116.3° | 111.1° |
| N10 | C09 | H9 | 108.9° | 109.4° |
| N10 | C09 | H10 | 108.9° | 109.5° |
| N10 | C11 | C18 | 125.7° | 120.1° |
| N10 | C11 | C12 | 118.1° | 120.1° |
| C18 | C11 | C12 | 116.2° | 119.8° |
| C11 | C18 | C17 | 122.9° | 120.0° |
| C11 | C18 | H13 | 118.5° | 120.0° |
| C11 | C12 | O13 | 116.9° | 120.1° |
| C11 | C12 | C15 | 120.9° | 119.9° |
| C18 | C17 | C16 | 119.7° | 120.2° |
| C18 | C17 | H12 | 120.2° | 119.9° |
| C17 | C18 | H13 | 118.6° | 120.0° |
| C12 | O13 | C14 | 121.3° | 117.0° |
| O13 | C12 | C15 | 122.2° | 120.0° |
| O13 | C14 | H1 | 109.5° | 109.6° |
| O13 | C14 | H2 | 109.5° | 109.5° |
| O13 | C14 | H3 | 109.4° | 109.5° |
| C12 | C15 | C16 | 121.4° | 120.0° |
| C12 | C15 | H4 | 119.3° | 120.0° |
| C17 | C16 | C15 | 119.0° | 120.2° |
| C17 | C16 | H11 | 120.5° | 119.9° |
| C16 | C17 | H12 | 120.2° | 119.9° |
| C16 | C15 | H4 | 119.3° | 120.0° |
| C15 | C16 | H11 | 120.5° | 119.9° |
| H1 | C14 | H2 | 109.4° | 109.4° |
| H1 | C14 | H3 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.3° |
| H7 | C08 | H8 | 109.5° | 109.7° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.4° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.6° |
| H18 | C23 | H19 | 109.5° | 109.3° |
| H20 | C24 | H21 | 109.5° | 109.7° |
| H22 | C25 | H23 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C25 | C24 | H22 | 120.2° | 119.7° |
| C01 | C25 | C24 | H23 | 120.3° | 119.7° |
| C25 | C01 | C02 | H5 | 120.6° | 120.3° |
| C25 | C01 | C02 | H6 | 120.6° | 120.2° |
| C01 | C25 | C24 | C23 | 52.8° | 69.3° |
| C25 | C01 | C02 | C03 | 159.7° | 162.3° |
| C25 | C01 | C02 | C22 | 19.6° | 17.8° |
| C25 | C01 | H5 | H6 | 118.0° | 119.4° |
| C01 | C25 | C24 | H20 | 67.7° | 171.1° |
| C01 | C25 | C24 | H21 | 173.3° | 50.5° |
| C01 | C25 | H22 | H23 | 119.2° | 120.6° |
| C24 | C25 | C01 | C02 | 46.6° | 50.6° |
| C25 | C24 | C23 | H20 | 120.5° | 119.7° |
| C25 | C24 | C23 | H21 | 120.5° | 119.8° |
| C25 | C24 | C23 | C22 | 32.6° | 51.0° |
| C24 | C25 | C01 | H5 | 167.3° | 69.7° |
| C24 | C25 | C01 | H6 | 74.0° | 170.9° |
| C25 | C24 | C23 | H18 | 153.8° | 69.3° |
| C25 | C24 | C23 | H19 | 88.5° | 171.3° |
| C25 | C24 | H20 | H21 | 118.5° | 120.6° |
| C24 | C25 | H22 | H23 | 119.2° | 120.5° |
| C01 | C02 | C03 | O04 | 0.3° | 0.5° |
| C01 | C02 | C03 | C22 | 179.3° | 179.9° |
| C01 | C02 | C22 | C23 | 1.8° | 1.0° |
| C01 | C02 | C03 | N05 | 179.4° | 179.5° |
| C01 | C02 | C22 | N21 | 179.4° | 179.4° |
| C02 | C01 | H5 | H6 | 118.0° | 119.5° |
| C02 | C01 | C25 | H22 | 166.9° | 170.3° |
| C02 | C01 | C25 | H23 | 73.6° | 69.0° |
| C24 | C23 | C22 | C02 | 4.6° | 18.1° |
| C24 | C23 | C22 | H18 | 121.2° | 120.3° |
| C24 | C23 | C22 | H19 | 121.2° | 120.2° |
| C24 | C23 | C22 | N21 | 174.2° | 162.3° |
| C24 | C23 | H18 | H19 | 116.4° | 119.4° |
| C23 | C24 | H20 | H21 | 118.6° | 120.5° |
| C23 | C24 | C25 | H22 | 173.0° | 171.0° |
| C23 | C24 | C25 | H23 | 67.5° | 50.4° |
| O04 | C03 | C02 | N05 | 179.1° | 180.0° |
| O04 | C03 | C02 | C22 | 179.0° | 179.6° |
| O04 | C03 | N05 | C06 | 179.0° | 179.9° |
| O04 | C03 | N05 | H24 | 1.0° | 0.1° |
| C03 | C02 | C22 | C23 | 178.8° | 179.1° |
| C03 | C02 | C22 | N21 | 0.1° | 0.5° |
| C02 | C03 | N05 | C06 | 0.2° | 0.0° |
| C03 | C02 | C01 | H5 | 39.1° | 77.4° |
| C03 | C02 | C01 | H6 | 79.6° | 42.1° |
| C02 | C03 | N05 | H24 | 179.8° | 180.0° |
| C02 | C22 | C23 | N21 | 178.8° | 179.6° |
| C22 | C02 | C03 | N05 | 0.1° | 0.4° |
| C02 | C22 | N21 | C06 | 0.3° | 0.3° |
| C22 | C02 | C01 | H5 | 140.2° | 102.5° |
| C22 | C02 | C01 | H6 | 101.1° | 138.0° |
| C02 | C22 | C23 | H18 | 125.8° | 102.2° |
| C02 | C22 | C23 | H19 | 116.5° | 138.3° |
| C23 | C22 | N21 | C06 | 179.0° | 179.3° |
| C22 | C23 | H18 | H19 | 116.3° | 119.5° |
| C22 | C23 | C24 | H20 | 87.9° | 170.7° |
| C22 | C23 | C24 | H21 | 153.1° | 68.8° |
| C03 | N05 | C06 | H24 | 180.0° | 180.0° |
| C03 | N05 | C06 | N21 | 0.4° | 0.2° |
| C03 | N05 | C06 | N07 | 179.9° | 179.8° |
| C22 | N21 | C06 | N05 | 0.5° | 0.1° |
| C22 | N21 | C06 | N07 | 179.9° | 179.9° |
| N21 | C22 | C23 | H18 | 53.0° | 77.4° |
| N21 | C22 | C23 | H19 | 64.7° | 42.1° |
| N05 | C06 | N21 | N07 | 179.5° | 180.0° |
| N05 | C06 | N07 | C20 | 1.8° | 5.6° |
| N05 | C06 | N07 | C08 | 179.6° | 174.4° |
| N21 | C06 | N07 | C20 | 178.7° | 174.4° |
| N21 | C06 | N07 | C08 | 0.9° | 5.6° |
| N21 | C06 | N05 | H24 | 179.6° | 179.8° |
| C06 | N07 | C20 | C08 | 178.0° | 180.0° |
| C06 | N07 | C20 | C19 | 143.0° | 128.8° |
| C06 | N07 | C08 | C09 | 134.5° | 128.8° |
| C06 | N07 | C08 | H7 | 13.8° | 111.5° |
| C06 | N07 | C08 | H8 | 104.8° | 9.1° |
| C06 | N07 | C20 | H16 | 95.9° | 9.0° |
| C06 | N07 | C20 | H17 | 22.0° | 111.4° |
| N07 | C06 | N05 | H24 | 0.1° | 0.2° |
| N07 | C20 | C19 | H16 | 121.1° | 119.8° |
| N07 | C20 | C19 | H17 | 121.1° | 119.9° |
| C20 | N07 | C08 | C09 | 47.5° | 51.2° |
| N07 | C20 | C19 | N10 | 43.0° | 53.8° |
| C20 | N07 | C08 | H7 | 168.2° | 68.5° |
| C20 | N07 | C08 | H8 | 73.2° | 170.9° |
| N07 | C20 | C19 | H14 | 163.6° | 173.8° |
| N07 | C20 | C19 | H15 | 77.6° | 66.2° |
| N07 | C20 | H16 | H17 | 116.6° | 120.5° |
| C08 | N07 | C20 | C19 | 39.0° | 51.1° |
| N07 | C08 | C09 | H7 | 120.7° | 119.7° |
| N07 | C08 | C09 | H8 | 120.7° | 119.9° |
| N07 | C08 | C09 | N10 | 61.8° | 53.8° |
| N07 | C08 | H7 | H8 | 117.9° | 120.6° |
| N07 | C08 | C09 | H9 | 58.5° | 66.1° |
| N07 | C08 | C09 | H10 | 177.9° | 173.8° |
| C08 | N07 | C20 | H16 | 82.1° | 170.9° |
| C08 | N07 | C20 | H17 | 160.0° | 68.7° |
| C20 | C19 | N10 | H14 | 120.5° | 120.0° |
| C20 | C19 | N10 | H15 | 120.5° | 120.0° |
| C20 | C19 | N10 | C09 | 52.1° | 63.0° |
| C20 | C19 | N10 | C11 | 174.7° | 172.8° |
| C20 | C19 | H14 | H15 | 118.3° | 120.0° |
| C19 | C20 | H16 | H17 | 116.6° | 120.4° |
| C08 | C09 | N10 | C19 | 61.5° | 63.1° |
| C08 | C09 | N10 | H9 | 120.3° | 120.0° |
| C08 | C09 | N10 | H10 | 120.3° | 120.0° |
| C08 | C09 | N10 | C11 | 165.0° | 172.7° |
| C09 | C08 | H7 | H8 | 117.9° | 120.4° |
| C08 | C09 | H9 | H10 | 119.1° | 120.1° |
| C19 | N10 | C09 | C11 | 133.4° | 124.2° |
| C19 | N10 | C11 | C18 | 39.0° | 64.3° |
| C19 | N10 | C11 | C12 | 142.8° | 115.4° |
| C19 | N10 | C09 | H9 | 58.8° | 56.9° |
| C19 | N10 | C09 | H10 | 178.1° | 176.9° |
| N10 | C19 | H14 | H15 | 118.4° | 120.0° |
| N10 | C19 | C20 | H16 | 78.1° | 173.5° |
| N10 | C19 | C20 | H17 | 164.1° | 66.1° |
| C09 | N10 | C11 | C18 | 90.3° | 60.0° |
| C09 | N10 | C11 | C12 | 87.8° | 120.3° |
| N10 | C09 | C08 | H7 | 177.6° | 65.9° |
| N10 | C09 | C08 | H8 | 58.9° | 173.7° |
| N10 | C09 | H9 | H10 | 119.0° | 120.0° |
| C09 | N10 | C19 | H14 | 172.6° | 177.0° |
| C09 | N10 | C19 | H15 | 68.5° | 57.0° |
| N10 | C11 | C18 | C12 | 178.2° | 179.7° |
| N10 | C11 | C18 | C17 | 179.7° | 179.7° |
| N10 | C11 | C12 | O13 | 1.6° | 0.3° |
| N10 | C11 | C12 | C15 | 179.6° | 179.7° |
| C11 | N10 | C09 | H9 | 74.7° | 67.3° |
| C11 | N10 | C09 | H10 | 44.7° | 52.7° |
| N10 | C11 | C18 | H13 | 0.3° | 0.2° |
| C11 | N10 | C19 | H14 | 54.2° | 52.8° |
| C11 | N10 | C19 | H15 | 64.7° | 67.3° |
| C11 | C18 | C17 | H13 | 180.0° | 180.0° |
| C18 | C11 | C12 | O13 | 179.9° | 180.0° |
| C18 | C11 | C12 | C15 | 1.3° | 0.0° |
| C11 | C18 | C17 | C16 | 0.8° | 0.0° |
| C11 | C18 | C17 | H12 | 179.2° | 179.9° |
| C12 | C11 | C18 | C17 | 1.5° | 0.0° |
| C11 | C12 | O13 | C15 | 178.8° | 179.9° |
| C11 | C12 | O13 | C14 | 150.3° | 179.9° |
| C11 | C12 | C15 | C16 | 0.3° | 0.0° |
| C11 | C12 | C15 | H4 | 179.7° | 179.9° |
| C12 | C11 | C18 | H13 | 178.5° | 180.0° |
| C18 | C17 | C16 | H12 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H11 | 179.8° | 180.0° |
| O13 | C12 | C15 | C16 | 179.1° | 180.0° |
| C12 | O13 | C14 | H1 | 180.0° | 60.0° |
| C12 | O13 | C14 | H2 | 60.0° | 180.0° |
| C12 | O13 | C14 | H3 | 60.0° | 60.0° |
| O13 | C12 | C15 | H4 | 0.9° | 0.0° |
| C14 | O13 | C12 | C15 | 28.5° | 0.0° |
| O13 | C14 | H1 | H2 | 120.0° | 120.0° |
| O13 | C14 | H1 | H3 | 120.0° | 120.0° |
| O13 | C14 | H2 | H3 | 120.0° | 120.0° |
| C12 | C15 | C16 | C17 | 0.5° | 0.0° |
| C12 | C15 | C16 | H4 | 180.0° | 180.0° |
| C12 | C15 | C16 | H11 | 179.6° | 180.0° |
| C17 | C16 | C15 | H11 | 180.0° | 180.0° |
| C17 | C16 | C15 | H4 | 179.5° | 180.0° |
| C16 | C17 | C18 | H13 | 179.2° | 180.0° |
| C15 | C16 | C17 | H12 | 179.8° | 179.9° |
| H1 | C14 | H2 | H3 | 120.0° | 120.0° |
| H4 | C15 | C16 | H11 | 0.4° | 0.0° |
| H5 | C01 | C25 | H22 | 72.5° | 50.1° |
| H5 | C01 | C25 | H23 | 47.0° | 170.7° |
| H6 | C01 | C25 | H22 | 46.3° | 69.4° |
| H6 | C01 | C25 | H23 | 165.8° | 51.2° |
| H7 | C08 | C09 | H9 | 62.2° | 174.2° |
| H7 | C08 | C09 | H10 | 57.3° | 54.1° |
| H8 | C08 | C09 | H9 | 179.2° | 53.8° |
| H8 | C08 | C09 | H10 | 61.4° | 66.3° |
| H11 | C16 | C17 | H12 | 0.2° | 0.1° |
| H12 | C17 | C18 | H13 | 0.8° | 0.1° |
| H14 | C19 | C20 | H16 | 42.5° | 66.5° |
| H14 | C19 | C20 | H17 | 75.4° | 53.9° |
| H15 | C19 | C20 | H16 | 161.3° | 53.6° |
| H15 | C19 | C20 | H17 | 43.5° | 173.9° |
| H18 | C23 | C24 | H20 | 33.3° | 50.4° |
| H18 | C23 | C24 | H21 | 85.8° | 170.9° |
| H19 | C23 | C24 | H20 | 151.0° | 69.1° |
| H19 | C23 | C24 | H21 | 31.9° | 51.5° |
| H20 | C24 | C25 | H22 | 52.6° | 51.3° |
| H20 | C24 | C25 | H23 | 172.0° | 69.2° |
| H21 | C24 | C25 | H22 | 66.5° | 69.2° |
| H21 | C24 | C25 | H23 | 53.0° | 170.2° |
