XC7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| N09 | C08 | doub | 1.31Å | 1.33Å | Aromatic |
| N09 | N10 | sing | 1.40Å | 1.35Å | Aromatic |
| C06 | N05 | sing | 1.47Å | 1.47Å | |
| C06 | C08 | sing | 1.51Å | 1.52Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| N05 | C04 | sing | 1.35Å | 1.44Å | |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| O13 | C04 | doub | 1.22Å | 1.19Å | |
| C04 | C03 | sing | 1.47Å | 1.54Å | |
| C02 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | C16 | sing | 1.40Å | 1.37Å | Aromatic |
| C08 | N12 | sing | 1.33Å | 1.34Å | Aromatic |
| C03 | N14 | sing | 1.38Å | 1.35Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | C20 | sing | 1.51Å | 1.55Å | |
| C16 | C15 | doub | 1.35Å | 1.38Å | Aromatic |
| N14 | C15 | sing | 1.36Å | 1.34Å | Aromatic |
| N10 | C11 | sing | 1.34Å | 1.32Å | Aromatic |
| N12 | C11 | doub | 1.31Å | 1.34Å | Aromatic |
| C20 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | N28 | sing | 1.32Å | 1.33Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| N28 | C23 | doub | 1.32Å | 1.33Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| F27 | C24 | sing | 1.40Å | 1.35Å | |
| C24 | F26 | sing | 1.40Å | 1.36Å | |
| C24 | F25 | sing | 1.40Å | 1.36Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | N05 | 109.2° | 109.5° |
| C07 | C06 | C08 | 116.0° | 109.5° |
| C07 | C06 | H061 | 109.0° | 109.5° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C06 | C07 | H071 | 109.4° | 109.5° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C19 | C18 | C17 | 60.7° | 60.0° |
| C18 | C19 | C17 | 59.5° | 60.0° |
| C19 | C18 | H181 | 119.8° | 117.5° |
| C19 | C18 | H182 | 119.9° | 117.5° |
| C18 | C19 | H192 | 120.1° | 117.5° |
| C18 | C19 | H191 | 120.1° | 117.4° |
| C18 | C17 | C19 | 59.7° | 60.0° |
| C18 | C17 | C16 | 119.1° | 117.5° |
| C18 | C17 | C20 | 123.6° | 117.5° |
| C17 | C18 | H181 | 119.9° | 117.5° |
| C17 | C18 | H182 | 119.9° | 117.5° |
| C08 | N09 | N10 | 106.4° | 106.8° |
| N09 | C08 | C06 | 126.6° | 125.5° |
| N09 | C08 | N12 | 109.0° | 109.0° |
| N09 | N10 | C11 | 109.5° | 106.3° |
| N09 | N10 | H101 | 125.2° | 126.8° |
| N05 | C06 | C08 | 103.5° | 109.5° |
| C06 | N05 | C04 | 122.2° | 120.0° |
| N05 | C06 | H061 | 109.8° | 109.5° |
| C06 | N05 | H051 | 118.9° | 120.0° |
| C06 | C08 | N12 | 124.4° | 125.5° |
| C08 | C06 | H061 | 109.1° | 109.5° |
| C19 | C17 | C16 | 124.3° | 117.5° |
| C19 | C17 | C20 | 107.6° | 117.5° |
| C17 | C19 | H192 | 120.1° | 117.5° |
| C17 | C19 | H191 | 120.0° | 117.5° |
| N05 | C04 | O13 | 121.2° | 120.0° |
| N05 | C04 | C03 | 113.7° | 120.0° |
| C04 | N05 | H051 | 118.9° | 120.0° |
| C01 | C02 | C03 | 126.1° | 126.4° |
| C01 | C02 | C16 | 127.0° | 126.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| O13 | C04 | C03 | 125.1° | 120.0° |
| C04 | C03 | C02 | 126.8° | 126.3° |
| C04 | C03 | N14 | 125.5° | 126.2° |
| C03 | C02 | C16 | 106.8° | 107.1° |
| C02 | C03 | N14 | 107.5° | 107.6° |
| C02 | C16 | C17 | 124.7° | 126.0° |
| C02 | C16 | C15 | 108.9° | 107.9° |
| C08 | N12 | C11 | 107.6° | 109.8° |
| C03 | N14 | C15 | 110.6° | 108.6° |
| C03 | N14 | H141 | 124.7° | 125.7° |
| C16 | C17 | C20 | 112.4° | 115.5° |
| C17 | C16 | C15 | 126.1° | 126.1° |
| C17 | C20 | C29 | 118.9° | 120.4° |
| C17 | C20 | C21 | 122.1° | 120.5° |
| C16 | C15 | N14 | 106.0° | 108.9° |
| C16 | C15 | H151 | 127.0° | 125.5° |
| N14 | C15 | H151 | 127.0° | 125.6° |
| C15 | N14 | H141 | 124.7° | 125.6° |
| N10 | C11 | N12 | 107.5° | 108.1° |
| C11 | N10 | H101 | 125.3° | 126.9° |
| N10 | C11 | H111 | 126.2° | 125.9° |
| N12 | C11 | H111 | 126.2° | 126.0° |
| C29 | C20 | C21 | 119.0° | 119.2° |
| C20 | C29 | N28 | 121.4° | 120.8° |
| C20 | C29 | H291 | 119.3° | 119.6° |
| C20 | C21 | C22 | 118.7° | 118.5° |
| C20 | C21 | H211 | 120.6° | 120.8° |
| C29 | N28 | C23 | 120.2° | 121.7° |
| N28 | C29 | H291 | 119.3° | 119.6° |
| C21 | C22 | C23 | 118.1° | 119.2° |
| C21 | C22 | H221 | 120.9° | 120.4° |
| C22 | C21 | H211 | 120.7° | 120.8° |
| N28 | C23 | C22 | 122.6° | 120.8° |
| N28 | C23 | C24 | 119.0° | 119.6° |
| C22 | C23 | C24 | 118.4° | 119.6° |
| C23 | C22 | H221 | 121.0° | 120.4° |
| C23 | C24 | F27 | 107.5° | 109.5° |
| C23 | C24 | F26 | 109.1° | 109.5° |
| C23 | C24 | F25 | 110.0° | 109.5° |
| F27 | C24 | F26 | 109.2° | 109.5° |
| F27 | C24 | F25 | 110.6° | 109.4° |
| F26 | C24 | F25 | 110.2° | 109.5° |
| H181 | C18 | H182 | 109.5° | 115.6° |
| H013 | C01 | H011 | 109.4° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H073 | C07 | H071 | 109.5° | 109.5° |
| H073 | C07 | H072 | 109.4° | 109.4° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C08 | N09 | 41.8° | 75.5° |
| C07 | C06 | N05 | C08 | 124.1° | 120.0° |
| C07 | C06 | N05 | H061 | 119.4° | 120.0° |
| C07 | C06 | C08 | H061 | 123.5° | 120.0° |
| C07 | C06 | N05 | C04 | 79.9° | 85.0° |
| C07 | C06 | C08 | N12 | 138.2° | 105.0° |
| C06 | C07 | H073 | H071 | 120.0° | 120.0° |
| C06 | C07 | H073 | H072 | 120.0° | 120.0° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C07 | C06 | N05 | H051 | 100.1° | 95.0° |
| C19 | C18 | C17 | H181 | 109.6° | 107.5° |
| C19 | C18 | C17 | H182 | 109.7° | 107.5° |
| C18 | C19 | C17 | H192 | 109.4° | 107.5° |
| C18 | C19 | C17 | H191 | 109.4° | 107.4° |
| C19 | C18 | C17 | C16 | 115.0° | 107.5° |
| C19 | C18 | C17 | C20 | 91.8° | 107.5° |
| C19 | C18 | H181 | H182 | 144.3° | 145.8° |
| C18 | C19 | H192 | H191 | 145.0° | 145.6° |
| C18 | C17 | C16 | C02 | 66.6° | 65.0° |
| C18 | C17 | C16 | C20 | 156.0° | 145.7° |
| C18 | C17 | C16 | C15 | 106.7° | 114.6° |
| C18 | C17 | C20 | C29 | 14.2° | 6.2° |
| C18 | C17 | C20 | C21 | 164.4° | 173.9° |
| C17 | C18 | H181 | H182 | 144.4° | 145.7° |
| N09 | C08 | C06 | N05 | 77.8° | 44.5° |
| N09 | C08 | C06 | N12 | 180.0° | 179.5° |
| C08 | N09 | N10 | C11 | 0.6° | 0.0° |
| N09 | C08 | N12 | C11 | 0.3° | 0.4° |
| C08 | N09 | N10 | H101 | 179.4° | 179.8° |
| N09 | C08 | C06 | H061 | 165.3° | 164.5° |
| N10 | N09 | C08 | C06 | 179.5° | 179.8° |
| N10 | N09 | C08 | N12 | 0.5° | 0.2° |
| N09 | N10 | C11 | H101 | 180.0° | 179.8° |
| N09 | N10 | C11 | N12 | 0.4° | 0.3° |
| N09 | N10 | C11 | H111 | 179.5° | 179.8° |
| N05 | C06 | C08 | H061 | 116.9° | 120.0° |
| C06 | N05 | C04 | H051 | 180.0° | 179.9° |
| C06 | N05 | C04 | O13 | 1.4° | 0.0° |
| C06 | N05 | C04 | C03 | 178.0° | 180.0° |
| N05 | C06 | C08 | N12 | 102.2° | 135.0° |
| N05 | C06 | C07 | H073 | 180.0° | 60.0° |
| N05 | C06 | C07 | H071 | 60.0° | 180.0° |
| N05 | C06 | C07 | H072 | 60.0° | 60.0° |
| C08 | C06 | N05 | C04 | 156.0° | 155.0° |
| C06 | C08 | N12 | C11 | 179.7° | 180.0° |
| C08 | C06 | C07 | H073 | 63.6° | 180.0° |
| C08 | C06 | C07 | H071 | 56.4° | 60.0° |
| C08 | C06 | C07 | H072 | 176.4° | 60.0° |
| C08 | C06 | N05 | H051 | 24.1° | 25.0° |
| C19 | C17 | C16 | C02 | 138.0° | 133.7° |
| C19 | C17 | C16 | C20 | 132.6° | 145.6° |
| C19 | C17 | C16 | C15 | 35.3° | 45.9° |
| C19 | C17 | C20 | C29 | 50.7° | 74.8° |
| C19 | C17 | C20 | C21 | 130.7° | 105.2° |
| C17 | C19 | H192 | H191 | 144.9° | 145.7° |
| N05 | C04 | O13 | C03 | 179.3° | 180.0° |
| N05 | C04 | C03 | C02 | 168.0° | 180.0° |
| N05 | C04 | C03 | N14 | 6.9° | 0.0° |
| C04 | N05 | C06 | H061 | 39.5° | 35.0° |
| C01 | C02 | C03 | C04 | 4.2° | 0.0° |
| C01 | C02 | C03 | C16 | 176.5° | 180.0° |
| C01 | C02 | C03 | N14 | 179.9° | 180.0° |
| C01 | C02 | C16 | C17 | 6.1° | 0.3° |
| C01 | C02 | C16 | C15 | 179.6° | 180.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O13 | C04 | C03 | C02 | 11.4° | 0.0° |
| O13 | C04 | C03 | N14 | 173.7° | 180.0° |
| O13 | C04 | N05 | H051 | 178.6° | 180.0° |
| C04 | C03 | C02 | N14 | 175.7° | 180.0° |
| C04 | C03 | C02 | C16 | 179.3° | 180.0° |
| C04 | C03 | N14 | C15 | 178.6° | 180.0° |
| C03 | C04 | N05 | H051 | 2.0° | 0.0° |
| C04 | C03 | N14 | H141 | 1.4° | 0.1° |
| C03 | C02 | C16 | C17 | 177.5° | 179.7° |
| C03 | C02 | C16 | C15 | 3.2° | 0.0° |
| C02 | C03 | N14 | C15 | 2.9° | 0.0° |
| C03 | C02 | C01 | H013 | 92.1° | 84.4° |
| C03 | C02 | C01 | H011 | 147.9° | 155.6° |
| C03 | C02 | C01 | H012 | 27.9° | 35.6° |
| C02 | C03 | N14 | H141 | 177.1° | 180.0° |
| C16 | C02 | C03 | N14 | 3.7° | 0.0° |
| C02 | C16 | C17 | C15 | 173.4° | 179.6° |
| C02 | C16 | C17 | C20 | 89.4° | 80.6° |
| C02 | C16 | C15 | N14 | 1.5° | 0.0° |
| C02 | C16 | C15 | H151 | 178.5° | 180.0° |
| C16 | C02 | C01 | H013 | 92.1° | 95.6° |
| C16 | C02 | C01 | H011 | 27.9° | 24.4° |
| C16 | C02 | C01 | H012 | 147.8° | 144.4° |
| C08 | N12 | C11 | N10 | 0.1° | 0.4° |
| C08 | N12 | C11 | H111 | 179.9° | 179.6° |
| N12 | C08 | C06 | H061 | 14.7° | 15.0° |
| C03 | N14 | C15 | C16 | 0.9° | 0.0° |
| C03 | N14 | C15 | H141 | 180.0° | 179.9° |
| C03 | N14 | C15 | H151 | 179.1° | 180.0° |
| C17 | C16 | C15 | N14 | 175.7° | 179.7° |
| C16 | C17 | C20 | C29 | 169.0° | 139.5° |
| C16 | C17 | C20 | C21 | 9.6° | 40.5° |
| C16 | C17 | C18 | H181 | 5.3° | 145.0° |
| C16 | C17 | C18 | H182 | 135.4° | 0.0° |
| C17 | C16 | C15 | H151 | 4.3° | 0.3° |
| C16 | C17 | C19 | H192 | 144.2° | 145.0° |
| C16 | C17 | C19 | H191 | 2.9° | 0.1° |
| C20 | C17 | C16 | C15 | 97.3° | 99.7° |
| C17 | C20 | C29 | C21 | 178.7° | 180.0° |
| C17 | C20 | C29 | N28 | 179.2° | 180.0° |
| C17 | C20 | C21 | C22 | 180.0° | 180.0° |
| C17 | C20 | C29 | H291 | 0.8° | 0.3° |
| C17 | C20 | C21 | H211 | 0.0° | 0.2° |
| C20 | C17 | C18 | H181 | 158.5° | 0.0° |
| C20 | C17 | C18 | H182 | 17.8° | 145.0° |
| C20 | C17 | C19 | H192 | 9.8° | 0.0° |
| C20 | C17 | C19 | H191 | 131.5° | 145.0° |
| C16 | C15 | N14 | H151 | 180.0° | 180.0° |
| C16 | C15 | N14 | H141 | 179.1° | 179.9° |
| N10 | C11 | N12 | H111 | 180.0° | 180.0° |
| N12 | C11 | N10 | H101 | 179.6° | 180.0° |
| C20 | C29 | N28 | H291 | 180.0° | 179.8° |
| C29 | C20 | C21 | C22 | 1.4° | 0.1° |
| C20 | C29 | N28 | C23 | 0.3° | 0.2° |
| C29 | C20 | C21 | H211 | 178.6° | 179.8° |
| C21 | C20 | C29 | N28 | 0.5° | 0.1° |
| C20 | C21 | C22 | H211 | 180.0° | 179.8° |
| C20 | C21 | C22 | C23 | 1.4° | 0.2° |
| C21 | C20 | C29 | H291 | 179.4° | 179.7° |
| C20 | C21 | C22 | H221 | 178.6° | 179.8° |
| C29 | N28 | C23 | C22 | 0.2° | 0.5° |
| C29 | N28 | C23 | C24 | 179.1° | 180.0° |
| C21 | C22 | C23 | N28 | 0.6° | 0.4° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| N28 | C23 | C22 | C24 | 179.3° | 179.5° |
| N28 | C23 | C24 | F27 | 36.7° | 30.5° |
| N28 | C23 | C24 | F26 | 81.7° | 89.5° |
| N28 | C23 | C24 | F25 | 157.3° | 150.5° |
| C23 | N28 | C29 | H291 | 179.7° | 180.0° |
| N28 | C23 | C22 | H221 | 179.4° | 179.5° |
| C22 | C23 | C24 | F27 | 144.0° | 150.0° |
| C22 | C23 | C24 | F26 | 97.6° | 90.0° |
| C22 | C23 | C24 | F25 | 23.4° | 30.0° |
| C23 | C22 | C21 | H211 | 178.6° | 180.0° |
| C23 | C24 | F27 | F26 | 118.3° | 120.0° |
| C23 | C24 | F27 | F25 | 120.2° | 120.0° |
| C23 | C24 | F26 | F25 | 120.9° | 120.0° |
| C24 | C23 | C22 | H221 | 0.1° | 0.0° |
| F27 | C24 | F26 | F25 | 121.8° | 120.0° |
| H221 | C22 | C21 | H211 | 1.5° | 0.0° |
| H181 | C18 | C19 | H192 | 141.0° | 0.1° |
| H181 | C18 | C19 | H191 | 0.4° | 145.0° |
| H182 | C18 | C19 | H192 | 0.3° | 145.0° |
| H182 | C18 | C19 | H191 | 141.0° | 0.1° |
| H151 | C15 | N14 | H141 | 0.9° | 0.1° |
| H101 | N10 | C11 | H111 | 0.4° | 0.0° |
| H013 | C01 | H011 | H012 | 120.0° | 119.9° |
| H061 | C06 | C07 | H073 | 60.0° | 60.1° |
| H061 | C06 | C07 | H071 | 180.0° | 60.0° |
| H061 | C06 | C07 | H072 | 60.0° | 180.0° |
| H061 | C06 | N05 | H051 | 140.5° | 145.0° |
| H073 | C07 | H071 | H072 | 120.0° | 119.9° |
