G9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C20 | sing | 1.74Å | 1.76Å | |
| C19 | C20 | doub | 1.38Å | 1.50Å | Aromatic |
| C19 | C17 | sing | 1.39Å | 1.57Å | Aromatic |
| N16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| N16 | C15 | sing | 1.37Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.47Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.34Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.37Å | 1.50Å | Aromatic |
| C18 | C14 | sing | 1.47Å | 1.36Å | Aromatic |
| C18 | C22 | sing | 1.40Å | 1.58Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.51Å | 1.52Å | |
| C09 | C08 | sing | 1.52Å | 1.52Å | |
| C10 | C11 | sing | 1.52Å | 1.53Å | |
| C08 | C07 | sing | 1.52Å | 1.53Å | |
| C07 | C04 | sing | 1.52Å | 1.54Å | |
| C11 | O12 | doub | 1.21Å | 1.19Å | |
| C11 | C05 | sing | 1.47Å | 1.52Å | |
| C04 | C05 | doub | 1.39Å | 1.50Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.53Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.53Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.52Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.52Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.53Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C20 | C19 | 120.7° | 119.7° |
| CL2 | C20 | C21 | 118.9° | 119.6° |
| C20 | C19 | C17 | 119.7° | 119.7° |
| C19 | C20 | C21 | 120.4° | 120.7° |
| C20 | C19 | H191 | 120.2° | 120.2° |
| C19 | C17 | N16 | 132.1° | 133.5° |
| C19 | C17 | C18 | 120.3° | 119.4° |
| C17 | C19 | H191 | 120.2° | 120.1° |
| C17 | N16 | C15 | 108.5° | 109.9° |
| N16 | C17 | C18 | 107.6° | 107.1° |
| C17 | N16 | H161 | 125.8° | 125.0° |
| N16 | C15 | C14 | 107.6° | 109.9° |
| N16 | C15 | H151 | 126.2° | 125.0° |
| C15 | N16 | H161 | 125.8° | 125.1° |
| C20 | C21 | C22 | 119.5° | 120.5° |
| C20 | C21 | H211 | 120.3° | 119.7° |
| C17 | C18 | C14 | 107.8° | 106.1° |
| C17 | C18 | C22 | 120.2° | 120.0° |
| C15 | C14 | C18 | 108.6° | 107.0° |
| C15 | C14 | C13 | 124.2° | 126.5° |
| C14 | C15 | H151 | 126.2° | 125.0° |
| C21 | C22 | C18 | 119.9° | 119.8° |
| C22 | C21 | H211 | 120.3° | 119.8° |
| C21 | C22 | H221 | 120.0° | 120.0° |
| C14 | C18 | C22 | 132.0° | 134.0° |
| C18 | C14 | C13 | 127.2° | 126.5° |
| C18 | C22 | H221 | 120.0° | 120.2° |
| C14 | C13 | C10 | 112.7° | 109.5° |
| C14 | C13 | H132 | 108.7° | 109.5° |
| C14 | C13 | H131 | 108.7° | 109.5° |
| C13 | C10 | C09 | 110.4° | 109.2° |
| C13 | C10 | C11 | 107.6° | 109.4° |
| C13 | C10 | H101 | 109.3° | 109.3° |
| C10 | C13 | H132 | 108.6° | 109.5° |
| C10 | C13 | H131 | 108.6° | 109.4° |
| C10 | C09 | C08 | 111.0° | 114.2° |
| C09 | C10 | C11 | 111.0° | 110.2° |
| C09 | C10 | H101 | 109.3° | 109.3° |
| C10 | C09 | H091 | 109.1° | 108.5° |
| C10 | C09 | H092 | 109.1° | 108.5° |
| C09 | C08 | C07 | 111.0° | 111.4° |
| C09 | C08 | H081 | 109.1° | 109.1° |
| C09 | C08 | H082 | 109.1° | 109.0° |
| C08 | C09 | H091 | 109.1° | 108.5° |
| C08 | C09 | H092 | 109.1° | 108.6° |
| C10 | C11 | O12 | 124.5° | 121.2° |
| C10 | C11 | C05 | 116.4° | 117.5° |
| C11 | C10 | H101 | 109.2° | 109.3° |
| C08 | C07 | C04 | 113.5° | 109.3° |
| C08 | C07 | H071 | 108.4° | 109.5° |
| C08 | C07 | H072 | 108.5° | 109.6° |
| C07 | C08 | H081 | 109.1° | 109.1° |
| C07 | C08 | H082 | 109.1° | 109.1° |
| C07 | C04 | C05 | 122.5° | 119.8° |
| C07 | C04 | C03 | 117.6° | 120.1° |
| C04 | C07 | H071 | 108.5° | 109.5° |
| C04 | C07 | H072 | 108.5° | 109.5° |
| O12 | C11 | C05 | 119.1° | 121.2° |
| C11 | C05 | C04 | 119.8° | 119.4° |
| C11 | C05 | C06 | 118.3° | 120.7° |
| C05 | C04 | C03 | 119.9° | 120.1° |
| C04 | C05 | C06 | 121.9° | 119.9° |
| C04 | C03 | C02 | 118.8° | 119.8° |
| C04 | C03 | H031 | 120.6° | 120.1° |
| C05 | C06 | C01 | 118.7° | 119.4° |
| C05 | C06 | H061 | 120.7° | 120.3° |
| C03 | C02 | C01 | 121.5° | 120.5° |
| C03 | C02 | H021 | 119.3° | 119.8° |
| C02 | C03 | H031 | 120.6° | 120.1° |
| C06 | C01 | C02 | 119.2° | 120.2° |
| C06 | C01 | H011 | 120.4° | 119.9° |
| C01 | C06 | H061 | 120.6° | 120.3° |
| C02 | C01 | H011 | 120.4° | 119.9° |
| C01 | C02 | H021 | 119.2° | 119.8° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.4° | 109.1° |
| H091 | C09 | H092 | 109.5° | 108.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C20 | C19 | C21 | 179.6° | 178.8° |
| CL2 | C20 | C19 | C17 | 179.5° | 179.6° |
| CL2 | C20 | C21 | C22 | 179.1° | 180.0° |
| CL2 | C20 | C21 | H211 | 0.9° | 1.2° |
| CL2 | C20 | C19 | H191 | 0.5° | 1.3° |
| C20 | C19 | C17 | H191 | 180.0° | 179.1° |
| C20 | C19 | C17 | N16 | 179.6° | 179.4° |
| C20 | C19 | C17 | C18 | 0.3° | 0.1° |
| C19 | C20 | C21 | C22 | 0.5° | 1.2° |
| C19 | C20 | C21 | H211 | 179.5° | 180.0° |
| C19 | C17 | N16 | C18 | 179.4° | 179.5° |
| C19 | C17 | N16 | C15 | 179.9° | 179.8° |
| C17 | C19 | C20 | C21 | 0.2° | 0.8° |
| C19 | C17 | C18 | C14 | 179.9° | 180.0° |
| C19 | C17 | C18 | C22 | 0.4° | 0.3° |
| C19 | C17 | N16 | H161 | 0.1° | 0.5° |
| C17 | N16 | C15 | H161 | 180.0° | 179.7° |
| C17 | N16 | C15 | C14 | 0.2° | 0.0° |
| N16 | C17 | C18 | C14 | 0.6° | 0.4° |
| N16 | C17 | C18 | C22 | 179.9° | 179.9° |
| C17 | N16 | C15 | H151 | 179.8° | 179.8° |
| N16 | C17 | C19 | H191 | 0.4° | 0.3° |
| C15 | N16 | C17 | C18 | 0.5° | 0.3° |
| N16 | C15 | C14 | H151 | 180.0° | 179.8° |
| N16 | C15 | C14 | C18 | 0.2° | 0.2° |
| N16 | C15 | C14 | C13 | 178.6° | 179.8° |
| C20 | C21 | C22 | H211 | 180.0° | 178.8° |
| C20 | C21 | C22 | C18 | 0.4° | 0.8° |
| C20 | C21 | C22 | H221 | 179.6° | 179.3° |
| C21 | C20 | C19 | H191 | 179.9° | 180.0° |
| C17 | C18 | C14 | C15 | 0.5° | 0.4° |
| C17 | C18 | C22 | C21 | 0.1° | 0.0° |
| C17 | C18 | C14 | C22 | 179.4° | 179.6° |
| C17 | C18 | C14 | C13 | 178.8° | 179.7° |
| C17 | C18 | C22 | H221 | 179.9° | 180.0° |
| C18 | C17 | N16 | H161 | 179.4° | 180.0° |
| C18 | C17 | C19 | H191 | 179.7° | 179.2° |
| C15 | C14 | C18 | C13 | 178.3° | 179.9° |
| C15 | C14 | C18 | C22 | 179.9° | 180.0° |
| C15 | C14 | C13 | C10 | 118.6° | 100.1° |
| C15 | C14 | C13 | H132 | 1.9° | 19.9° |
| C15 | C14 | C13 | H131 | 120.9° | 139.9° |
| C14 | C15 | N16 | H161 | 179.8° | 179.7° |
| C21 | C22 | C18 | C14 | 179.4° | 179.5° |
| C21 | C22 | C18 | H221 | 180.0° | 180.0° |
| C18 | C14 | C13 | C10 | 63.3° | 79.9° |
| C18 | C14 | C13 | H132 | 176.2° | 160.1° |
| C18 | C14 | C13 | H131 | 57.1° | 40.1° |
| C18 | C14 | C15 | H151 | 179.8° | 180.0° |
| C14 | C18 | C22 | H221 | 0.6° | 0.5° |
| C22 | C18 | C14 | C13 | 1.8° | 0.1° |
| C18 | C22 | C21 | H211 | 179.6° | 179.6° |
| C14 | C13 | C10 | H132 | 120.5° | 120.0° |
| C14 | C13 | C10 | H131 | 120.5° | 120.0° |
| C14 | C13 | C10 | C09 | 48.7° | 173.3° |
| C14 | C13 | C10 | C11 | 169.9° | 66.0° |
| C14 | C13 | C10 | H101 | 71.6° | 53.7° |
| C14 | C13 | H132 | H131 | 118.6° | 120.0° |
| C13 | C14 | C15 | H151 | 1.4° | 0.0° |
| C13 | C10 | C09 | C11 | 119.2° | 120.2° |
| C13 | C10 | C09 | H101 | 120.3° | 119.6° |
| C13 | C10 | C09 | C08 | 166.0° | 175.1° |
| C13 | C10 | C11 | H101 | 118.5° | 119.7° |
| C13 | C10 | C11 | O12 | 32.1° | 21.7° |
| C13 | C10 | C11 | C05 | 148.4° | 158.4° |
| C10 | C13 | H132 | H131 | 118.5° | 120.0° |
| C13 | C10 | C09 | H091 | 73.7° | 53.9° |
| C13 | C10 | C09 | H092 | 45.8° | 63.6° |
| C10 | C09 | C08 | H091 | 120.2° | 121.2° |
| C10 | C09 | C08 | H092 | 120.3° | 121.2° |
| C09 | C10 | C11 | H101 | 120.6° | 120.2° |
| C10 | C09 | C08 | C07 | 45.8° | 71.2° |
| C09 | C10 | C11 | O12 | 88.8° | 98.4° |
| C09 | C10 | C11 | C05 | 90.7° | 81.5° |
| C09 | C10 | C13 | H132 | 71.8° | 66.8° |
| C09 | C10 | C13 | H131 | 169.2° | 53.2° |
| C10 | C09 | C08 | H081 | 166.0° | 168.3° |
| C10 | C09 | C08 | H082 | 74.4° | 49.3° |
| C10 | C09 | H091 | H092 | 119.3° | 117.7° |
| C08 | C09 | C10 | C11 | 46.8° | 64.7° |
| C09 | C08 | C07 | H081 | 120.2° | 120.5° |
| C09 | C08 | C07 | H082 | 120.2° | 120.4° |
| C09 | C08 | C07 | C04 | 91.6° | 87.1° |
| C08 | C09 | C10 | H101 | 73.7° | 55.5° |
| C09 | C08 | C07 | H071 | 29.0° | 32.8° |
| C09 | C08 | C07 | H072 | 147.8° | 152.9° |
| C09 | C08 | H081 | H082 | 119.3° | 119.0° |
| C08 | C09 | H091 | H092 | 119.3° | 117.7° |
| C10 | C11 | O12 | C05 | 179.4° | 179.9° |
| C10 | C11 | C05 | C04 | 35.8° | 65.2° |
| C10 | C11 | C05 | C06 | 144.5° | 113.3° |
| C11 | C10 | C13 | H132 | 49.5° | 54.0° |
| C11 | C10 | C13 | H131 | 69.6° | 174.0° |
| C11 | C10 | C09 | H091 | 167.1° | 174.1° |
| C11 | C10 | C09 | H092 | 73.4° | 56.6° |
| C08 | C07 | C04 | H071 | 120.6° | 119.9° |
| C08 | C07 | C04 | H072 | 120.6° | 120.0° |
| C08 | C07 | C04 | C05 | 38.3° | 69.8° |
| C08 | C07 | C04 | C03 | 141.2° | 111.7° |
| C08 | C07 | H071 | H072 | 118.2° | 120.1° |
| C07 | C08 | H081 | H082 | 119.3° | 119.1° |
| C07 | C08 | C09 | H091 | 74.4° | 167.6° |
| C07 | C08 | C09 | H092 | 166.1° | 50.1° |
| C07 | C04 | C05 | C11 | 0.3° | 4.6° |
| C07 | C04 | C05 | C03 | 179.5° | 178.5° |
| C07 | C04 | C05 | C06 | 179.5° | 176.8° |
| C07 | C04 | C03 | C02 | 179.5° | 177.4° |
| C07 | C04 | C03 | H031 | 0.5° | 2.6° |
| C04 | C07 | H071 | H072 | 118.2° | 120.0° |
| C04 | C07 | C08 | H081 | 148.2° | 152.3° |
| C04 | C07 | C08 | H082 | 28.7° | 33.2° |
| O12 | C11 | C05 | C04 | 143.7° | 114.7° |
| O12 | C11 | C05 | C06 | 36.1° | 66.8° |
| O12 | C11 | C10 | H101 | 150.6° | 141.4° |
| C11 | C05 | C04 | C06 | 179.7° | 178.5° |
| C11 | C05 | C04 | C03 | 179.8° | 176.8° |
| C11 | C05 | C06 | C01 | 179.9° | 177.4° |
| C05 | C11 | C10 | H101 | 29.9° | 38.7° |
| C11 | C05 | C06 | H061 | 0.0° | 2.5° |
| C05 | C04 | C03 | C02 | 0.1° | 1.2° |
| C04 | C05 | C06 | C01 | 0.2° | 1.1° |
| C05 | C04 | C03 | H031 | 179.9° | 178.9° |
| C04 | C05 | C06 | H061 | 179.8° | 179.0° |
| C05 | C04 | C07 | H071 | 82.3° | 50.2° |
| C05 | C04 | C07 | H072 | 158.9° | 170.2° |
| C03 | C04 | C05 | C06 | 0.0° | 1.7° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.3° | 0.1° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C07 | H071 | 98.2° | 128.4° |
| C03 | C04 | C07 | H072 | 20.6° | 8.3° |
| C05 | C06 | C01 | H061 | 180.0° | 179.9° |
| C05 | C06 | C01 | C02 | 0.3° | 0.0° |
| C05 | C06 | C01 | H011 | 179.7° | 180.0° |
| C03 | C02 | C01 | C06 | 0.4° | 0.5° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | H011 | 179.6° | 179.5° |
| C06 | C01 | C02 | H011 | 180.0° | 180.0° |
| C06 | C01 | C02 | H021 | 179.6° | 179.4° |
| C01 | C02 | C03 | H031 | 179.7° | 180.0° |
| C02 | C01 | C06 | H061 | 179.6° | 179.9° |
| H101 | C10 | C13 | H132 | 167.9° | 173.7° |
| H101 | C10 | C13 | H131 | 48.9° | 66.3° |
| H101 | C10 | C09 | H091 | 46.5° | 65.7° |
| H101 | C10 | C09 | H092 | 166.1° | 176.8° |
| H151 | C15 | N16 | H161 | 0.2° | 0.1° |
| H211 | C21 | C22 | H221 | 0.4° | 0.4° |
| H011 | C01 | C02 | H021 | 0.4° | 0.6° |
| H011 | C01 | C06 | H061 | 0.4° | 0.1° |
| H021 | C02 | C03 | H031 | 0.2° | 0.1° |
| H071 | C07 | C08 | H081 | 91.2° | 87.7° |
| H071 | C07 | C08 | H082 | 149.3° | 153.2° |
| H072 | C07 | C08 | H081 | 27.6° | 32.4° |
| H072 | C07 | C08 | H082 | 91.9° | 86.7° |
| H081 | C08 | C09 | H091 | 45.8° | 47.1° |
| H081 | C08 | C09 | H092 | 73.7° | 70.5° |
| H082 | C08 | C09 | H091 | 165.3° | 71.9° |
| H082 | C08 | C09 | H092 | 45.8° | 170.5° |
