A1CZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | sing | 1.51Å | 1.49Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | N11 | sing | 1.47Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| N14 | C13 | sing | 1.47Å | 1.49Å | |
| N14 | C15 | sing | 1.39Å | 1.48Å | |
| N14 | C23 | sing | 1.47Å | 1.49Å | |
| C17 | N19 | sing | 1.33Å | 1.36Å | Aromatic |
| C24 | N11 | sing | 1.47Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| N11 | C09 | sing | 1.35Å | 1.46Å | |
| C15 | N22 | doub | 1.33Å | 1.36Å | Aromatic |
| N07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| N07 | C06 | sing | 1.37Å | 1.37Å | Aromatic |
| O10 | C09 | doub | 1.22Å | 1.20Å | |
| C09 | C08 | sing | 1.47Å | 1.52Å | |
| N19 | C20 | doub | 1.32Å | 1.38Å | Aromatic |
| C04 | C06 | doub | 1.39Å | 1.43Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C20 | sing | 1.32Å | 1.39Å | Aromatic |
| C20 | N21 | sing | 1.38Å | 1.41Å | |
| C08 | C25 | doub | 1.36Å | 1.42Å | Aromatic |
| C06 | C27 | sing | 1.41Å | 1.40Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C27 | sing | 1.42Å | 1.47Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.47Å | |
| C27 | C28 | doub | 1.40Å | 1.42Å | Aromatic |
| C02 | C28 | sing | 1.36Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N21 | H212 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C06 | 122.8° | 120.1° |
| C05 | C04 | C03 | 121.8° | 120.1° |
| C04 | C05 | H052 | 109.5° | 109.5° |
| C04 | C05 | H053 | 109.5° | 109.4° |
| C04 | C05 | H051 | 109.5° | 109.4° |
| C18 | C17 | C16 | 123.2° | 120.4° |
| C18 | C17 | N19 | 114.7° | 120.3° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C13 | C12 | N11 | 111.5° | 108.5° |
| C12 | C13 | N14 | 117.4° | 109.4° |
| C12 | C13 | H131 | 107.4° | 109.5° |
| C12 | C13 | H132 | 107.5° | 109.5° |
| C13 | C12 | H121 | 109.0° | 109.6° |
| C13 | C12 | H122 | 109.0° | 109.6° |
| C12 | N11 | C24 | 110.4° | 118.2° |
| C12 | N11 | C09 | 121.6° | 120.9° |
| N11 | C12 | H121 | 109.0° | 109.6° |
| N11 | C12 | H122 | 109.0° | 109.6° |
| C17 | C16 | C15 | 119.0° | 118.5° |
| C16 | C17 | N19 | 122.1° | 119.3° |
| C17 | C16 | H161 | 120.5° | 120.7° |
| C16 | C15 | N14 | 120.1° | 120.5° |
| C16 | C15 | N22 | 121.3° | 119.0° |
| C15 | C16 | H161 | 120.5° | 120.8° |
| C13 | N14 | C15 | 121.4° | 111.0° |
| C13 | N14 | C23 | 104.3° | 111.2° |
| N14 | C13 | H131 | 107.5° | 109.5° |
| N14 | C13 | H132 | 107.4° | 109.5° |
| C15 | N14 | C23 | 118.0° | 111.0° |
| N14 | C15 | N22 | 118.6° | 120.5° |
| N14 | C23 | C24 | 115.6° | 109.3° |
| N14 | C23 | H231 | 107.9° | 109.5° |
| N14 | C23 | H232 | 107.9° | 109.5° |
| C17 | N19 | C20 | 114.1° | 120.9° |
| N11 | C24 | C23 | 112.9° | 108.6° |
| C24 | N11 | C09 | 127.8° | 120.9° |
| N11 | C24 | H241 | 108.6° | 109.7° |
| N11 | C24 | H242 | 108.6° | 109.7° |
| C24 | C23 | H231 | 107.9° | 109.5° |
| C24 | C23 | H232 | 107.9° | 109.5° |
| C23 | C24 | H241 | 108.6° | 109.6° |
| C23 | C24 | H242 | 108.6° | 109.6° |
| N11 | C09 | O10 | 117.2° | 120.0° |
| N11 | C09 | C08 | 123.3° | 120.0° |
| C15 | N22 | C20 | 114.5° | 120.6° |
| C08 | N07 | C06 | 111.4° | 108.8° |
| N07 | C08 | C09 | 125.6° | 125.4° |
| N07 | C08 | C25 | 107.3° | 109.2° |
| C08 | N07 | H071 | 124.3° | 125.6° |
| N07 | C06 | C04 | 128.9° | 133.1° |
| N07 | C06 | C27 | 107.5° | 107.4° |
| C06 | N07 | H071 | 124.3° | 125.6° |
| O10 | C09 | C08 | 119.4° | 120.0° |
| C09 | C08 | C25 | 127.1° | 125.4° |
| N19 | C20 | N22 | 128.9° | 121.7° |
| N19 | C20 | N21 | 115.6° | 119.2° |
| C06 | C04 | C03 | 115.5° | 119.8° |
| C04 | C06 | C27 | 123.6° | 119.4° |
| C04 | C03 | C02 | 122.7° | 120.6° |
| C04 | C03 | H031 | 118.7° | 119.7° |
| N22 | C20 | N21 | 115.5° | 119.2° |
| C20 | N21 | H212 | 109.5° | 120.0° |
| C20 | N21 | H211 | 109.5° | 120.0° |
| C08 | C25 | C27 | 105.8° | 107.7° |
| C08 | C25 | C26 | 128.2° | 126.2° |
| C06 | C27 | C25 | 108.0° | 106.9° |
| C06 | C27 | C28 | 119.0° | 119.7° |
| C03 | C02 | C28 | 120.4° | 120.6° |
| C03 | C02 | C01 | 119.8° | 119.7° |
| C02 | C03 | H031 | 118.6° | 119.7° |
| C27 | C25 | C26 | 126.0° | 126.1° |
| C25 | C27 | C28 | 133.0° | 133.4° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H261 | 109.4° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.4° |
| C27 | C28 | C02 | 118.9° | 119.8° |
| C27 | C28 | H281 | 120.5° | 120.1° |
| C28 | C02 | C01 | 119.8° | 119.7° |
| C02 | C28 | H281 | 120.6° | 120.1° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.8° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H052 | C05 | H053 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H053 | C05 | H051 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.4° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.7° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.4° | 109.4° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H212 | N21 | H211 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C06 | N07 | 0.1° | 0.3° |
| C05 | C04 | C06 | C03 | 179.9° | 179.7° |
| C05 | C04 | C06 | C27 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 180.0° | 179.8° |
| C05 | C04 | C03 | H031 | 0.0° | 0.3° |
| C04 | C05 | H052 | H053 | 120.0° | 120.0° |
| C04 | C05 | H052 | H051 | 120.0° | 120.0° |
| C04 | C05 | H053 | H051 | 120.0° | 119.9° |
| C18 | C17 | C16 | N19 | 179.6° | 179.9° |
| C18 | C17 | C16 | C15 | 179.6° | 180.0° |
| C18 | C17 | N19 | C20 | 179.9° | 180.0° |
| C18 | C17 | C16 | H161 | 0.4° | 0.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.1° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C13 | C12 | N11 | H121 | 120.3° | 119.7° |
| C13 | C12 | N11 | H122 | 120.3° | 119.7° |
| C12 | C13 | N14 | H131 | 121.1° | 120.0° |
| C12 | C13 | N14 | H132 | 121.1° | 120.0° |
| C12 | C13 | N14 | C15 | 167.6° | 172.8° |
| C12 | C13 | N14 | C23 | 56.1° | 63.1° |
| C13 | C12 | N11 | C24 | 47.2° | 51.1° |
| C13 | C12 | N11 | C09 | 136.4° | 128.8° |
| C12 | C13 | H131 | H132 | 116.4° | 120.0° |
| C13 | C12 | H121 | H122 | 119.1° | 120.4° |
| N11 | C12 | C13 | N14 | 55.3° | 53.8° |
| C12 | N11 | C24 | C09 | 176.1° | 179.9° |
| C12 | N11 | C24 | C23 | 48.6° | 51.2° |
| C12 | N11 | C09 | O10 | 2.4° | 4.9° |
| C12 | N11 | C09 | C08 | 177.7° | 175.0° |
| N11 | C12 | C13 | H131 | 176.4° | 173.8° |
| N11 | C12 | C13 | H132 | 65.8° | 66.2° |
| N11 | C12 | H121 | H122 | 119.1° | 120.5° |
| C12 | N11 | C24 | H241 | 169.1° | 68.6° |
| C12 | N11 | C24 | H242 | 71.9° | 170.9° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | N14 | 179.3° | 179.8° |
| C17 | C16 | C15 | N22 | 0.5° | 0.0° |
| C16 | C17 | N19 | C20 | 0.2° | 0.1° |
| C16 | C17 | C18 | H181 | 179.6° | 90.0° |
| C16 | C17 | C18 | H183 | 60.3° | 149.9° |
| C16 | C17 | C18 | H182 | 59.6° | 30.0° |
| C16 | C15 | N14 | C13 | 42.1° | 179.7° |
| C16 | C15 | N14 | N22 | 178.9° | 179.8° |
| C16 | C15 | N14 | C23 | 172.8° | 55.4° |
| C15 | C16 | C17 | N19 | 0.0° | 0.1° |
| C16 | C15 | N22 | C20 | 0.6° | 0.0° |
| C13 | N14 | C15 | C23 | 130.7° | 124.3° |
| C13 | N14 | C23 | C24 | 55.7° | 63.1° |
| C13 | N14 | C15 | N22 | 139.0° | 0.0° |
| N14 | C13 | H131 | H132 | 116.4° | 120.1° |
| N14 | C13 | C12 | H121 | 175.6° | 173.5° |
| N14 | C13 | C12 | H122 | 65.0° | 65.9° |
| C13 | N14 | C23 | H231 | 176.5° | 56.9° |
| C13 | N14 | C23 | H232 | 65.2° | 177.0° |
| C15 | N14 | C23 | C24 | 166.3° | 172.8° |
| N14 | C15 | N22 | C20 | 179.5° | 179.7° |
| C15 | N14 | C13 | H131 | 46.5° | 52.8° |
| C15 | N14 | C13 | H132 | 71.3° | 67.3° |
| N14 | C15 | C16 | H161 | 0.7° | 0.2° |
| C15 | N14 | C23 | H231 | 45.4° | 67.2° |
| C15 | N14 | C23 | H232 | 72.9° | 52.8° |
| N14 | C23 | C24 | N11 | 56.0° | 53.8° |
| N14 | C23 | C24 | H231 | 120.9° | 120.0° |
| N14 | C23 | C24 | H232 | 120.9° | 119.9° |
| C23 | N14 | C15 | N22 | 8.3° | 124.3° |
| C23 | N14 | C13 | H131 | 177.2° | 176.9° |
| C23 | N14 | C13 | H132 | 65.0° | 56.9° |
| N14 | C23 | H231 | H232 | 117.2° | 120.1° |
| N14 | C23 | C24 | H241 | 176.5° | 65.9° |
| N14 | C23 | C24 | H242 | 64.5° | 173.6° |
| C17 | N19 | C20 | N22 | 0.0° | 0.0° |
| C17 | N19 | C20 | N21 | 179.9° | 180.0° |
| N19 | C17 | C16 | H161 | 180.0° | 179.9° |
| N19 | C17 | C18 | H181 | 0.0° | 90.0° |
| N19 | C17 | C18 | H183 | 120.0° | 30.0° |
| N19 | C17 | C18 | H182 | 120.0° | 150.0° |
| N11 | C24 | C23 | H241 | 120.5° | 119.8° |
| N11 | C24 | C23 | H242 | 120.5° | 119.8° |
| C24 | N11 | C09 | O10 | 178.1° | 175.1° |
| C24 | N11 | C09 | C08 | 2.0° | 4.9° |
| C24 | N11 | C12 | H121 | 167.5° | 170.8° |
| C24 | N11 | C12 | H122 | 73.1° | 68.5° |
| N11 | C24 | C23 | H231 | 176.9° | 66.1° |
| N11 | C24 | C23 | H232 | 64.9° | 173.8° |
| N11 | C24 | H241 | H242 | 118.4° | 120.5° |
| C23 | C24 | N11 | C09 | 135.3° | 128.8° |
| C24 | C23 | H231 | H232 | 117.2° | 120.1° |
| C23 | C24 | H241 | H242 | 118.4° | 120.4° |
| N11 | C09 | C08 | N07 | 89.2° | 103.6° |
| N11 | C09 | O10 | C08 | 179.9° | 180.0° |
| N11 | C09 | C08 | C25 | 92.0° | 76.5° |
| C09 | N11 | C12 | H121 | 16.1° | 9.1° |
| C09 | N11 | C12 | H122 | 103.3° | 111.5° |
| C09 | N11 | C24 | H241 | 14.8° | 111.5° |
| C09 | N11 | C24 | H242 | 104.2° | 9.0° |
| C15 | N22 | C20 | N19 | 0.4° | 0.1° |
| C15 | N22 | C20 | N21 | 179.7° | 180.0° |
| N22 | C15 | C16 | H161 | 179.6° | 180.0° |
| C08 | N07 | C06 | H071 | 180.0° | 179.8° |
| N07 | C08 | C09 | O10 | 90.9° | 76.4° |
| N07 | C08 | C09 | C25 | 178.8° | 179.9° |
| C08 | N07 | C06 | C04 | 179.8° | 180.0° |
| C08 | N07 | C06 | C27 | 0.2° | 0.3° |
| N07 | C08 | C25 | C27 | 0.3° | 0.1° |
| N07 | C08 | C25 | C26 | 179.9° | 179.9° |
| C06 | N07 | C08 | C09 | 179.4° | 179.8° |
| N07 | C06 | C04 | C27 | 180.0° | 179.7° |
| N07 | C06 | C04 | C03 | 180.0° | 180.0° |
| C06 | N07 | C08 | C25 | 0.4° | 0.2° |
| N07 | C06 | C27 | C25 | 0.0° | 0.3° |
| N07 | C06 | C27 | C28 | 180.0° | 179.6° |
| O10 | C09 | C08 | C25 | 87.9° | 103.5° |
| C09 | C08 | C25 | C27 | 179.3° | 180.0° |
| C09 | C08 | C25 | C26 | 0.9° | 0.0° |
| C09 | C08 | N07 | H071 | 0.6° | 0.1° |
| N19 | C20 | N22 | N21 | 179.9° | 180.0° |
| N19 | C20 | N21 | H212 | 0.0° | 0.0° |
| N19 | C20 | N21 | H211 | 120.0° | 179.9° |
| C06 | C04 | C03 | C02 | 0.0° | 0.0° |
| C04 | C06 | C27 | C25 | 180.0° | 180.0° |
| C04 | C06 | C27 | C28 | 0.0° | 0.6° |
| C06 | C04 | C03 | H031 | 179.9° | 180.0° |
| C06 | C04 | C05 | H052 | 89.9° | 90.0° |
| C06 | C04 | C05 | H053 | 150.0° | 150.0° |
| C06 | C04 | C05 | H051 | 30.1° | 30.1° |
| C04 | C06 | N07 | H071 | 0.2° | 0.2° |
| C03 | C04 | C06 | C27 | 0.1° | 0.3° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | C28 | 0.0° | 0.1° |
| C04 | C03 | C02 | C01 | 179.9° | 179.7° |
| C03 | C04 | C05 | H052 | 90.0° | 90.3° |
| C03 | C04 | C05 | H053 | 30.1° | 29.7° |
| C03 | C04 | C05 | H051 | 150.0° | 149.7° |
| N22 | C20 | N21 | H212 | 179.9° | 180.0° |
| N22 | C20 | N21 | H211 | 60.0° | 0.0° |
| C20 | N21 | H212 | H211 | 120.0° | 179.9° |
| C08 | C25 | C27 | C06 | 0.2° | 0.1° |
| C08 | C25 | C27 | C26 | 179.7° | 180.0° |
| C08 | C25 | C27 | C28 | 179.8° | 179.4° |
| C08 | C25 | C26 | H262 | 90.2° | 90.0° |
| C08 | C25 | C26 | H261 | 149.8° | 150.0° |
| C08 | C25 | C26 | H263 | 29.8° | 30.0° |
| C25 | C08 | N07 | H071 | 179.7° | 180.0° |
| C06 | C27 | C25 | C28 | 180.0° | 179.2° |
| C06 | C27 | C25 | C26 | 179.9° | 179.9° |
| C06 | C27 | C28 | C02 | 0.0° | 0.7° |
| C06 | C27 | C28 | H281 | 180.0° | 179.5° |
| C27 | C06 | N07 | H071 | 179.8° | 179.9° |
| C03 | C02 | C28 | C27 | 0.0° | 0.4° |
| C03 | C02 | C28 | C01 | 179.9° | 179.7° |
| C03 | C02 | C01 | H011 | 90.0° | 89.7° |
| C03 | C02 | C01 | H013 | 149.9° | 30.3° |
| C03 | C02 | C01 | H012 | 30.0° | 150.3° |
| C03 | C02 | C28 | H281 | 180.0° | 179.8° |
| C25 | C27 | C28 | C02 | 180.0° | 179.8° |
| C27 | C25 | C26 | H262 | 90.2° | 90.1° |
| C27 | C25 | C26 | H261 | 29.9° | 29.9° |
| C27 | C25 | C26 | H263 | 149.8° | 150.0° |
| C25 | C27 | C28 | H281 | 0.0° | 0.3° |
| C26 | C25 | C27 | C28 | 0.0° | 0.7° |
| C25 | C26 | H262 | H261 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 119.9° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C27 | C28 | C02 | H281 | 180.0° | 179.9° |
| C27 | C28 | C02 | C01 | 179.9° | 180.0° |
| C28 | C02 | C01 | H011 | 90.1° | 90.0° |
| C28 | C02 | C01 | H013 | 30.0° | 150.1° |
| C28 | C02 | C01 | H012 | 149.9° | 30.0° |
| C28 | C02 | C03 | H031 | 180.0° | 180.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.1° | 0.3° |
| C01 | C02 | C28 | H281 | 0.1° | 0.1° |
| H131 | C13 | C12 | H121 | 63.3° | 66.5° |
| H131 | C13 | C12 | H122 | 56.1° | 54.1° |
| H132 | C13 | C12 | H121 | 54.5° | 53.5° |
| H132 | C13 | C12 | H122 | 173.9° | 174.1° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H052 | C05 | H053 | H051 | 120.0° | 120.1° |
| H181 | C18 | H183 | H182 | 120.0° | 119.9° |
| H231 | C23 | C24 | H241 | 62.6° | 174.1° |
| H231 | C23 | C24 | H242 | 56.4° | 53.6° |
| H232 | C23 | C24 | H241 | 55.7° | 54.0° |
| H232 | C23 | C24 | H242 | 174.6° | 66.4° |
| H262 | C26 | H261 | H263 | 120.0° | 120.0° |
