G2X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N10 | sing | 1.33Å | 1.43Å | Aromatic |
| C11 | N12 | doub | 1.31Å | 1.37Å | Aromatic |
| N10 | C09 | doub | 1.33Å | 1.39Å | Aromatic |
| N12 | N13 | sing | 1.40Å | 1.42Å | Aromatic |
| F29 | C28 | sing | 1.40Å | 1.37Å | |
| F30 | C28 | sing | 1.40Å | 1.35Å | |
| C09 | N13 | sing | 1.37Å | 1.40Å | Aromatic |
| C09 | N08 | sing | 1.34Å | 1.40Å | Aromatic |
| N13 | C04 | sing | 1.36Å | 1.43Å | Aromatic |
| C28 | C01 | sing | 1.53Å | 1.60Å | |
| C28 | F31 | sing | 1.40Å | 1.37Å | |
| N08 | C06 | doub | 1.32Å | 1.36Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | N03 | sing | 1.46Å | 1.45Å | |
| C04 | N03 | sing | 1.38Å | 1.43Å | |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.42Å | Aromatic |
| C06 | CL7 | sing | 1.74Å | 1.74Å | |
| C05 | C14 | sing | 1.48Å | 1.51Å | |
| F16 | C15 | sing | 1.35Å | 1.33Å | |
| C14 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | C26 | sing | 1.40Å | 1.44Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| F27 | C26 | sing | 1.35Å | 1.33Å | |
| C26 | C25 | doub | 1.38Å | 1.44Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.35Å | |
| O19 | C20 | sing | 1.43Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.58Å | |
| C22 | N23 | sing | 1.47Å | 1.50Å | |
| N23 | C24 | sing | 1.47Å | 1.44Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H023 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N23 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C11 | N12 | 111.6° | 109.6° |
| C11 | N10 | C09 | 104.6° | 109.7° |
| N10 | C11 | H111 | 124.2° | 125.2° |
| C11 | N12 | N13 | 106.0° | 107.1° |
| N12 | C11 | H111 | 124.2° | 125.2° |
| N10 | C09 | N13 | 109.8° | 107.1° |
| N10 | C09 | N08 | 130.8° | 132.2° |
| N12 | N13 | C09 | 107.9° | 106.4° |
| N12 | N13 | C04 | 130.5° | 133.3° |
| F29 | C28 | F30 | 106.9° | 109.5° |
| F29 | C28 | C01 | 111.9° | 109.5° |
| F29 | C28 | F31 | 103.5° | 109.5° |
| F30 | C28 | C01 | 113.1° | 109.5° |
| F30 | C28 | F31 | 107.0° | 109.5° |
| N13 | C09 | N08 | 119.3° | 120.7° |
| C09 | N13 | C04 | 121.6° | 120.3° |
| C09 | N08 | C06 | 117.1° | 121.4° |
| N13 | C04 | N03 | 122.0° | 120.7° |
| N13 | C04 | C05 | 120.2° | 118.7° |
| C01 | C28 | F31 | 113.7° | 109.5° |
| C28 | C01 | C02 | 102.9° | 109.4° |
| C28 | C01 | N03 | 110.5° | 109.5° |
| C28 | C01 | H011 | 109.4° | 109.4° |
| N08 | C06 | C05 | 127.0° | 120.2° |
| N08 | C06 | CL7 | 116.3° | 119.9° |
| C02 | C01 | N03 | 112.1° | 109.5° |
| C02 | C01 | H011 | 110.2° | 109.5° |
| C01 | C02 | H022 | 109.5° | 109.5° |
| C01 | C02 | H023 | 109.5° | 109.4° |
| C01 | C02 | H021 | 109.5° | 109.5° |
| C01 | N03 | C04 | 126.1° | 120.0° |
| N03 | C01 | H011 | 111.4° | 109.5° |
| C01 | N03 | H031 | 105.2° | 120.0° |
| N03 | C04 | C05 | 117.8° | 120.7° |
| C04 | N03 | H031 | 105.1° | 120.0° |
| C04 | C05 | C06 | 114.8° | 118.7° |
| C04 | C05 | C14 | 123.4° | 120.7° |
| C05 | C06 | CL7 | 116.7° | 119.9° |
| C06 | C05 | C14 | 121.8° | 120.6° |
| C05 | C14 | C15 | 121.9° | 120.1° |
| C05 | C14 | C26 | 121.9° | 120.1° |
| F16 | C15 | C14 | 117.9° | 120.0° |
| F16 | C15 | C17 | 120.3° | 120.1° |
| C15 | C14 | C26 | 116.2° | 119.8° |
| C14 | C15 | C17 | 121.9° | 119.9° |
| C14 | C26 | F27 | 118.8° | 120.0° |
| C14 | C26 | C25 | 121.4° | 119.9° |
| C15 | C17 | C18 | 121.1° | 120.1° |
| C15 | C17 | H171 | 119.4° | 119.9° |
| F27 | C26 | C25 | 119.8° | 120.1° |
| C26 | C25 | C18 | 121.4° | 120.1° |
| C26 | C25 | H251 | 119.3° | 119.9° |
| C17 | C18 | C25 | 118.0° | 120.2° |
| C17 | C18 | O19 | 119.3° | 119.9° |
| C18 | C17 | H171 | 119.4° | 120.0° |
| C25 | C18 | O19 | 122.7° | 119.9° |
| C18 | C25 | H251 | 119.3° | 119.9° |
| C18 | O19 | C20 | 120.1° | 117.0° |
| O19 | C20 | C21 | 109.6° | 109.4° |
| O19 | C20 | H201 | 109.4° | 109.4° |
| O19 | C20 | H202 | 109.4° | 109.4° |
| C20 | C21 | C22 | 115.3° | 109.5° |
| C21 | C20 | H201 | 109.4° | 109.5° |
| C21 | C20 | H202 | 109.4° | 109.5° |
| C20 | C21 | H211 | 108.0° | 109.5° |
| C20 | C21 | H212 | 108.0° | 109.5° |
| C21 | C22 | N23 | 111.5° | 109.5° |
| C22 | C21 | H211 | 108.0° | 109.4° |
| C22 | C21 | H212 | 108.0° | 109.5° |
| C21 | C22 | H222 | 109.0° | 109.4° |
| C21 | C22 | H221 | 109.0° | 109.5° |
| C22 | N23 | C24 | 107.0° | 111.0° |
| N23 | C22 | H222 | 109.0° | 109.4° |
| N23 | C22 | H221 | 109.0° | 109.6° |
| C22 | N23 | H1 | 110.1° | 111.0° |
| N23 | C24 | H241 | 109.5° | 109.5° |
| N23 | C24 | H243 | 109.5° | 109.5° |
| N23 | C24 | H242 | 109.5° | 109.5° |
| C24 | N23 | H1 | 110.1° | 110.9° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H241 | C24 | H243 | 109.4° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.5° | 109.4° |
| H022 | C02 | H023 | 109.4° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H023 | C02 | H021 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C11 | N12 | H111 | 180.0° | 179.9° |
| N10 | C11 | N12 | N13 | 0.2° | 0.0° |
| C11 | N10 | C09 | N13 | 0.2° | 0.1° |
| C11 | N10 | C09 | N08 | 178.6° | 180.0° |
| N12 | C11 | N10 | C09 | 0.2° | 0.0° |
| C11 | N12 | N13 | C09 | 0.1° | 0.0° |
| C11 | N12 | N13 | C04 | 179.8° | 180.0° |
| N10 | C09 | N13 | N12 | 0.1° | 0.1° |
| N10 | C09 | N13 | N08 | 179.0° | 180.0° |
| N10 | C09 | N13 | C04 | 179.9° | 180.0° |
| N10 | C09 | N08 | C06 | 179.8° | 179.9° |
| C09 | N10 | C11 | H111 | 179.8° | 180.0° |
| N12 | N13 | C09 | C04 | 179.8° | 180.0° |
| N12 | N13 | C09 | N08 | 178.9° | 180.0° |
| N12 | N13 | C04 | N03 | 1.1° | 0.0° |
| N12 | N13 | C04 | C05 | 179.4° | 180.0° |
| N13 | N12 | C11 | H111 | 179.8° | 179.9° |
| F29 | C28 | F30 | C01 | 123.7° | 120.0° |
| F29 | C28 | F30 | F31 | 110.4° | 120.0° |
| F29 | C28 | C01 | F31 | 116.8° | 120.0° |
| F29 | C28 | C01 | C02 | 61.0° | 180.0° |
| F29 | C28 | C01 | N03 | 179.1° | 60.0° |
| F29 | C28 | C01 | H011 | 56.1° | 60.0° |
| F30 | C28 | C01 | F31 | 122.3° | 120.0° |
| F30 | C28 | C01 | C02 | 178.2° | 60.0° |
| F30 | C28 | C01 | N03 | 58.3° | 180.0° |
| F30 | C28 | C01 | H011 | 64.7° | 60.0° |
| N13 | C09 | N08 | C06 | 1.0° | 0.0° |
| C09 | N13 | C04 | N03 | 179.1° | 180.0° |
| C09 | N13 | C04 | C05 | 0.3° | 0.0° |
| N08 | C09 | N13 | C04 | 0.9° | 0.0° |
| C09 | N08 | C06 | C05 | 0.6° | 0.0° |
| C09 | N08 | C06 | CL7 | 179.5° | 180.0° |
| N13 | C04 | N03 | C01 | 18.6° | 0.0° |
| N13 | C04 | N03 | C05 | 179.5° | 180.0° |
| N13 | C04 | C05 | C06 | 0.1° | 0.0° |
| N13 | C04 | C05 | C14 | 179.7° | 180.0° |
| N13 | C04 | N03 | H031 | 140.8° | 180.0° |
| C28 | C01 | C02 | N03 | 118.8° | 120.0° |
| C28 | C01 | C02 | H011 | 116.6° | 120.0° |
| C28 | C01 | N03 | H011 | 121.8° | 120.0° |
| C28 | C01 | N03 | C04 | 89.6° | 155.0° |
| C28 | C01 | C02 | H022 | 180.0° | 60.0° |
| C28 | C01 | C02 | H023 | 60.0° | 180.0° |
| C28 | C01 | C02 | H021 | 60.0° | 60.0° |
| C28 | C01 | N03 | H031 | 32.7° | 25.0° |
| F31 | C28 | C01 | C02 | 55.8° | 60.0° |
| F31 | C28 | C01 | N03 | 64.1° | 60.0° |
| F31 | C28 | C01 | H011 | 173.0° | 180.0° |
| N08 | C06 | C05 | C04 | 0.0° | 0.0° |
| N08 | C06 | C05 | CL7 | 180.0° | 180.0° |
| N08 | C06 | C05 | C14 | 179.8° | 180.0° |
| C02 | C01 | N03 | H011 | 124.0° | 120.0° |
| C02 | C01 | N03 | C04 | 156.2° | 85.0° |
| C01 | C02 | H022 | H023 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 120.0° | 120.0° |
| C01 | C02 | H023 | H021 | 120.0° | 120.0° |
| C02 | C01 | N03 | H031 | 81.6° | 94.9° |
| C01 | N03 | C04 | H031 | 122.2° | 180.0° |
| C01 | N03 | C04 | C05 | 160.9° | 180.0° |
| N03 | C01 | C02 | H022 | 61.2° | 180.0° |
| N03 | C01 | C02 | H023 | 58.8° | 60.0° |
| N03 | C01 | C02 | H021 | 178.8° | 60.0° |
| N03 | C04 | C05 | C06 | 179.6° | 180.0° |
| N03 | C04 | C05 | C14 | 0.2° | 0.0° |
| C04 | N03 | C01 | H011 | 32.3° | 35.0° |
| C04 | C05 | C06 | C14 | 179.8° | 180.0° |
| C04 | C05 | C06 | CL7 | 180.0° | 180.0° |
| C04 | C05 | C14 | C15 | 83.9° | 90.0° |
| C04 | C05 | C14 | C26 | 94.2° | 90.1° |
| C05 | C04 | N03 | H031 | 38.7° | 0.0° |
| C06 | C05 | C14 | C15 | 95.9° | 90.0° |
| C06 | C05 | C14 | C26 | 86.0° | 89.9° |
| CL7 | C06 | C05 | C14 | 0.2° | 0.0° |
| C05 | C14 | C15 | F16 | 0.5° | 0.3° |
| C05 | C14 | C15 | C26 | 178.2° | 179.9° |
| C05 | C14 | C15 | C17 | 179.8° | 180.0° |
| C05 | C14 | C26 | F27 | 0.7° | 0.1° |
| C05 | C14 | C26 | C25 | 179.7° | 180.0° |
| F16 | C15 | C14 | C17 | 179.7° | 179.7° |
| F16 | C15 | C14 | C26 | 178.8° | 179.6° |
| F16 | C15 | C17 | C18 | 179.3° | 179.7° |
| F16 | C15 | C17 | H171 | 0.6° | 0.3° |
| C15 | C14 | C26 | F27 | 178.9° | 180.0° |
| C15 | C14 | C26 | C25 | 1.4° | 0.1° |
| C14 | C15 | C17 | C18 | 1.0° | 0.0° |
| C14 | C15 | C17 | H171 | 179.1° | 180.0° |
| C26 | C14 | C15 | C17 | 1.5° | 0.1° |
| C14 | C26 | F27 | C25 | 179.6° | 179.9° |
| C14 | C26 | C25 | C18 | 0.8° | 0.1° |
| C14 | C26 | C25 | H251 | 179.2° | 180.0° |
| C15 | C17 | C18 | H171 | 180.0° | 180.0° |
| C15 | C17 | C18 | C25 | 0.2° | 0.0° |
| C15 | C17 | C18 | O19 | 179.5° | 180.0° |
| F27 | C26 | C25 | C18 | 179.6° | 180.0° |
| F27 | C26 | C25 | H251 | 0.4° | 0.1° |
| C26 | C25 | C18 | C17 | 0.2° | 0.0° |
| C26 | C25 | C18 | H251 | 180.0° | 180.0° |
| C26 | C25 | C18 | O19 | 179.6° | 180.0° |
| C17 | C18 | C25 | O19 | 179.7° | 180.0° |
| C17 | C18 | O19 | C20 | 21.4° | 180.0° |
| C17 | C18 | C25 | H251 | 179.8° | 180.0° |
| C25 | C18 | O19 | C20 | 158.8° | 0.0° |
| C25 | C18 | C17 | H171 | 179.8° | 180.0° |
| C18 | O19 | C20 | C21 | 160.2° | 180.0° |
| O19 | C18 | C17 | H171 | 0.5° | 0.0° |
| C18 | O19 | C20 | H201 | 40.1° | 60.0° |
| C18 | O19 | C20 | H202 | 79.8° | 60.1° |
| O19 | C18 | C25 | H251 | 0.5° | 0.0° |
| O19 | C20 | C21 | H201 | 120.0° | 120.0° |
| O19 | C20 | C21 | H202 | 120.0° | 120.0° |
| O19 | C20 | C21 | C22 | 155.4° | 180.0° |
| O19 | C20 | H201 | H202 | 119.9° | 120.0° |
| O19 | C20 | C21 | H211 | 34.5° | 60.0° |
| O19 | C20 | C21 | H212 | 83.8° | 60.0° |
| C20 | C21 | C22 | H211 | 120.9° | 120.0° |
| C20 | C21 | C22 | H212 | 120.8° | 120.1° |
| C20 | C21 | C22 | N23 | 173.3° | 180.0° |
| C21 | C20 | H201 | H202 | 119.9° | 120.1° |
| C20 | C21 | H211 | H212 | 117.4° | 120.0° |
| C20 | C21 | C22 | H222 | 66.4° | 60.0° |
| C20 | C21 | C22 | H221 | 53.0° | 59.9° |
| C21 | C22 | N23 | H222 | 120.3° | 120.0° |
| C21 | C22 | N23 | H221 | 120.3° | 120.1° |
| C21 | C22 | N23 | C24 | 145.1° | 180.0° |
| C22 | C21 | C20 | H201 | 84.6° | 60.0° |
| C22 | C21 | C20 | H202 | 35.3° | 60.1° |
| C22 | C21 | H211 | H212 | 117.3° | 120.0° |
| C21 | C22 | H222 | H221 | 119.1° | 120.0° |
| C21 | C22 | N23 | H1 | 95.3° | 56.1° |
| C22 | N23 | C24 | H1 | 119.6° | 123.9° |
| N23 | C22 | C21 | H211 | 52.4° | 60.0° |
| N23 | C22 | C21 | H212 | 65.9° | 59.9° |
| N23 | C22 | H222 | H221 | 119.1° | 120.1° |
| C22 | N23 | C24 | H241 | 180.0° | 180.0° |
| C22 | N23 | C24 | H243 | 60.0° | 60.1° |
| C22 | N23 | C24 | H242 | 60.0° | 59.9° |
| C24 | N23 | C22 | H222 | 24.8° | 60.1° |
| C24 | N23 | C22 | H221 | 94.6° | 59.9° |
| N23 | C24 | H241 | H243 | 120.0° | 120.0° |
| N23 | C24 | H241 | H242 | 120.0° | 120.1° |
| N23 | C24 | H243 | H242 | 120.0° | 120.0° |
| H201 | C20 | C21 | H211 | 154.5° | 60.0° |
| H201 | C20 | C21 | H212 | 36.2° | 179.9° |
| H202 | C20 | C21 | H211 | 85.5° | 180.0° |
| H202 | C20 | C21 | H212 | 156.1° | 60.0° |
| H211 | C21 | C22 | H222 | 172.7° | 180.0° |
| H211 | C21 | C22 | H221 | 67.8° | 60.1° |
| H212 | C21 | C22 | H222 | 54.4° | 60.1° |
| H212 | C21 | C22 | H221 | 173.9° | 180.0° |
| H222 | C22 | N23 | H1 | 144.4° | 176.1° |
| H221 | C22 | N23 | H1 | 25.0° | 63.9° |
| H241 | C24 | H243 | H242 | 120.0° | 120.0° |
| H241 | C24 | N23 | H1 | 60.4° | 56.1° |
| H243 | C24 | N23 | H1 | 179.6° | 176.1° |
| H242 | C24 | N23 | H1 | 59.6° | 63.9° |
| H011 | C01 | C02 | H022 | 63.4° | 60.0° |
| H011 | C01 | C02 | H023 | 176.6° | 60.0° |
| H011 | C01 | C02 | H021 | 56.6° | NaN° |
| H011 | C01 | N03 | H031 | 154.5° | 145.0° |
| H022 | C02 | H023 | H021 | 120.0° | 120.0° |
