A1C8Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C09 | sing | 1.37Å | 1.44Å | |
| C09 | N11 | sing | 1.36Å | 1.45Å | |
| C09 | N08 | doub | 1.32Å | 1.47Å | |
| N11 | C14 | sing | 1.35Å | 1.42Å | |
| N08 | C07 | sing | 1.33Å | 1.49Å | |
| C14 | O15 | doub | 1.22Å | 1.18Å | |
| C14 | C12 | sing | 1.39Å | 1.53Å | |
| C07 | C12 | doub | 1.39Å | 1.38Å | |
| C07 | N06 | sing | 1.39Å | 1.35Å | |
| C12 | N13 | sing | 1.42Å | 1.32Å | |
| N13 | C04 | sing | 1.41Å | 1.31Å | |
| N06 | C05 | sing | 1.41Å | 1.34Å | |
| C04 | C05 | doub | 1.32Å | 1.42Å | |
| C04 | C03 | sing | 1.51Å | 1.55Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | O01 | sing | 1.43Å | 1.45Å | |
| C02 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | O17 | sing | 1.43Å | 1.44Å | |
| C18 | O19 | sing | 1.43Å | 1.44Å | |
| O19 | P20 | sing | 1.61Å | 1.68Å | |
| O26 | P25 | doub | 1.48Å | 1.53Å | |
| O21 | P20 | doub | 1.48Å | 1.53Å | |
| P20 | O31 | sing | 1.61Å | 1.51Å | |
| P20 | C22 | sing | 1.82Å | 1.88Å | |
| P25 | O24 | sing | 1.61Å | 1.68Å | |
| P25 | O27 | sing | 1.61Å | 1.52Å | |
| P25 | O28 | sing | 1.61Å | 1.52Å | |
| O24 | P23 | sing | 1.61Å | 1.68Å | |
| C22 | P23 | sing | 1.82Å | 1.87Å | |
| P23 | O30 | doub | 1.48Å | 1.52Å | |
| P23 | O29 | sing | 1.61Å | 1.53Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å | |
| O27 | H2 | sing | 0.97Å | 0.95Å | |
| O28 | H3 | sing | 0.97Å | 0.95Å | |
| O29 | H4 | sing | 0.97Å | 0.95Å | |
| O31 | H5 | sing | 0.97Å | 0.95Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C09 | N11 | 119.7° | 119.2° |
| N10 | C09 | N08 | 119.1° | 119.2° |
| C09 | N10 | H102 | 120.0° | 120.0° |
| C09 | N10 | H101 | 120.0° | 120.0° |
| N11 | C09 | N08 | 121.2° | 121.6° |
| C09 | N11 | C14 | 119.1° | 120.2° |
| C09 | N11 | H111 | 120.5° | 119.9° |
| C09 | N08 | C07 | 120.1° | 120.8° |
| N11 | C14 | O15 | 119.9° | 120.8° |
| N11 | C14 | C12 | 118.9° | 118.4° |
| C14 | N11 | H111 | 120.5° | 119.9° |
| N08 | C07 | C12 | 117.4° | 119.7° |
| N08 | C07 | N06 | 122.4° | 121.3° |
| O15 | C14 | C12 | 121.2° | 120.8° |
| C14 | C12 | C07 | 123.3° | 119.2° |
| C14 | C12 | N13 | 116.3° | 121.8° |
| C12 | C07 | N06 | 120.2° | 119.0° |
| C07 | C12 | N13 | 120.4° | 119.0° |
| C07 | N06 | C05 | 118.4° | 119.5° |
| C07 | N06 | H061 | 120.8° | 120.2° |
| C12 | N13 | C04 | 121.9° | 118.8° |
| C12 | N13 | H131 | 119.0° | 120.6° |
| N13 | C04 | C05 | 118.1° | 120.2° |
| N13 | C04 | C03 | 112.8° | 119.9° |
| C04 | N13 | H131 | 119.0° | 120.7° |
| N06 | C05 | C04 | 121.0° | 120.8° |
| N06 | C05 | H051 | 119.5° | 119.6° |
| C05 | N06 | H061 | 120.8° | 120.2° |
| C05 | C04 | C03 | 129.1° | 119.9° |
| C04 | C05 | H051 | 119.5° | 119.7° |
| C04 | C03 | C02 | 101.0° | 109.5° |
| C04 | C03 | H1 | 111.5° | 109.5° |
| C04 | C03 | H032 | 111.5° | 109.5° |
| C03 | C02 | O01 | 105.1° | 109.5° |
| C03 | C02 | C16 | 120.2° | 109.5° |
| C03 | C02 | H021 | 108.2° | 109.5° |
| C02 | C03 | H1 | 111.5° | 109.5° |
| C02 | C03 | H032 | 111.6° | 109.5° |
| O01 | C02 | C16 | 105.9° | 109.5° |
| O01 | C02 | H021 | 109.1° | 109.4° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C16 | C18 | 129.7° | 109.5° |
| C02 | C16 | O17 | 105.0° | 109.4° |
| C16 | C02 | H021 | 108.1° | 109.5° |
| C02 | C16 | H161 | 104.1° | 109.5° |
| C18 | C16 | O17 | 106.7° | 109.5° |
| C16 | C18 | O19 | 100.4° | 109.5° |
| C18 | C16 | H161 | 104.1° | 109.5° |
| C16 | C18 | H181 | 111.7° | 109.5° |
| C16 | C18 | H182 | 111.7° | 109.4° |
| O17 | C16 | H161 | 104.9° | 109.5° |
| C16 | O17 | H171 | 109.5° | 114.0° |
| C18 | O19 | P20 | 126.6° | 123.0° |
| O19 | C18 | H181 | 111.7° | 109.5° |
| O19 | C18 | H182 | 111.7° | 109.4° |
| O19 | P20 | O21 | 114.5° | 109.5° |
| O19 | P20 | O31 | 101.9° | 109.5° |
| O19 | P20 | C22 | 114.0° | 109.5° |
| O26 | P25 | O24 | 114.8° | 109.5° |
| O26 | P25 | O27 | 107.5° | 109.4° |
| O26 | P25 | O28 | 105.5° | 109.5° |
| O21 | P20 | O31 | 105.9° | 109.5° |
| O21 | P20 | C22 | 110.7° | 109.5° |
| O31 | P20 | C22 | 109.0° | 109.5° |
| P20 | O31 | H5 | 109.5° | 114.0° |
| P20 | C22 | P23 | 118.8° | 109.5° |
| P20 | C22 | H222 | 107.1° | 109.5° |
| P20 | C22 | H221 | 107.1° | 109.5° |
| O24 | P25 | O27 | 106.1° | 109.4° |
| O24 | P25 | O28 | 112.3° | 109.5° |
| P25 | O24 | P23 | 128.9° | 134.0° |
| O27 | P25 | O28 | 110.6° | 109.5° |
| P25 | O27 | H2 | 109.5° | 114.0° |
| P25 | O28 | H3 | 109.5° | 114.0° |
| O24 | P23 | C22 | 111.5° | 109.5° |
| O24 | P23 | O30 | 109.6° | 109.5° |
| O24 | P23 | O29 | 113.2° | 109.5° |
| C22 | P23 | O30 | 105.9° | 109.5° |
| C22 | P23 | O29 | 107.4° | 109.5° |
| P23 | C22 | H222 | 107.1° | 109.5° |
| P23 | C22 | H221 | 107.1° | 109.4° |
| O30 | P23 | O29 | 109.0° | 109.5° |
| P23 | O29 | H4 | 109.5° | 114.0° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H1 | C03 | H032 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H102 | N10 | H101 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C09 | N11 | N08 | 179.6° | 177.7° |
| N10 | C09 | N11 | C14 | 179.9° | 180.0° |
| N10 | C09 | N08 | C07 | 179.8° | 179.3° |
| C09 | N10 | H102 | H101 | 180.0° | 179.9° |
| N10 | C09 | N11 | H111 | 0.1° | 2.3° |
| C09 | N11 | C14 | H111 | 180.0° | 177.7° |
| N11 | C09 | N08 | C07 | 0.6° | 1.6° |
| C09 | N11 | C14 | O15 | 179.6° | 178.5° |
| C09 | N11 | C14 | C12 | 0.0° | 1.5° |
| N11 | C09 | N10 | H102 | 179.7° | 0.1° |
| N11 | C09 | N10 | H101 | 0.4° | 180.0° |
| N08 | C09 | N11 | C14 | 0.5° | 2.3° |
| C09 | N08 | C07 | C12 | 0.2° | 0.0° |
| C09 | N08 | C07 | N06 | 179.9° | 179.2° |
| N08 | C09 | N10 | H102 | 0.0° | 177.6° |
| N08 | C09 | N10 | H101 | 180.0° | 2.3° |
| N08 | C09 | N11 | H111 | 179.5° | 179.9° |
| N11 | C14 | O15 | C12 | 179.6° | 179.9° |
| N11 | C14 | C12 | C07 | 0.4° | 0.1° |
| N11 | C14 | C12 | N13 | 179.6° | 179.3° |
| N08 | C07 | C12 | C14 | 0.3° | 0.8° |
| N08 | C07 | C12 | N06 | 179.7° | 179.3° |
| N08 | C07 | C12 | N13 | 179.7° | 179.9° |
| N08 | C07 | N06 | C05 | 179.6° | 166.4° |
| N08 | C07 | N06 | H061 | 0.4° | 13.6° |
| O15 | C14 | C12 | C07 | 179.9° | 180.0° |
| O15 | C14 | C12 | N13 | 0.0° | 0.8° |
| O15 | C14 | N11 | H111 | 0.4° | 0.7° |
| C14 | C12 | C07 | N13 | 179.9° | 179.3° |
| C14 | C12 | C07 | N06 | 179.4° | 179.9° |
| C14 | C12 | N13 | C04 | 179.2° | 167.1° |
| C12 | C14 | N11 | H111 | 180.0° | 179.2° |
| C14 | C12 | N13 | H131 | 0.8° | 12.3° |
| C07 | C12 | N13 | C04 | 0.8° | 13.7° |
| C12 | C07 | N06 | C05 | 0.7° | 12.8° |
| C12 | C07 | N06 | H061 | 179.3° | 167.1° |
| C07 | C12 | N13 | H131 | 179.2° | 166.9° |
| N06 | C07 | C12 | N13 | 0.6° | 0.7° |
| C07 | N06 | C05 | H061 | 180.0° | 180.0° |
| C07 | N06 | C05 | C04 | 0.4° | 13.6° |
| C07 | N06 | C05 | H051 | 179.6° | 166.4° |
| C12 | N13 | C04 | H131 | 180.0° | 179.4° |
| C12 | N13 | C04 | C05 | 1.9° | 13.3° |
| C12 | N13 | C04 | C03 | 178.3° | 166.5° |
| N13 | C04 | C05 | N06 | 1.8° | 0.3° |
| N13 | C04 | C05 | C03 | 175.8° | 179.8° |
| N13 | C04 | C03 | C02 | 119.8° | 85.2° |
| N13 | C04 | C03 | H1 | 121.6° | 154.7° |
| N13 | C04 | C03 | H032 | 1.2° | 34.8° |
| N13 | C04 | C05 | H051 | 178.3° | 179.7° |
| N06 | C05 | C04 | H051 | 180.0° | 180.0° |
| N06 | C05 | C04 | C03 | 177.5° | 180.0° |
| C05 | C04 | C03 | C02 | 56.1° | 95.0° |
| C05 | C04 | C03 | H1 | 62.5° | 25.0° |
| C05 | C04 | C03 | H032 | 174.8° | 145.0° |
| C04 | C05 | N06 | H061 | 179.5° | 166.4° |
| C05 | C04 | N13 | H131 | 178.1° | 167.3° |
| C04 | C03 | C02 | H1 | 118.6° | 120.0° |
| C04 | C03 | C02 | H032 | 118.6° | 120.0° |
| C04 | C03 | C02 | O01 | 116.2° | 65.0° |
| C04 | C03 | C02 | C16 | 124.8° | 175.0° |
| C04 | C03 | C02 | H021 | 0.2° | 55.0° |
| C04 | C03 | H1 | H032 | 123.9° | 120.0° |
| C03 | C04 | C05 | H051 | 2.5° | 0.1° |
| C03 | C04 | N13 | H131 | 1.7° | 13.0° |
| C03 | C02 | O01 | C16 | 128.2° | 120.0° |
| C03 | C02 | O01 | H021 | 115.8° | 120.0° |
| C03 | C02 | C16 | H021 | 124.7° | 120.0° |
| C03 | C02 | C16 | C18 | 40.6° | 175.0° |
| C03 | C02 | C16 | O17 | 168.2° | 55.0° |
| C02 | C03 | H1 | H032 | 124.0° | 120.0° |
| C03 | C02 | C16 | H161 | 81.7° | 65.0° |
| C03 | C02 | O01 | H011 | 165.8° | 60.1° |
| O01 | C02 | C16 | H021 | 116.8° | 120.0° |
| O01 | C02 | C16 | C18 | 159.2° | 55.0° |
| O01 | C02 | C16 | O17 | 73.2° | 65.0° |
| O01 | C02 | C03 | H1 | 2.4° | 175.0° |
| O01 | C02 | C03 | H032 | 125.2° | 55.0° |
| O01 | C02 | C16 | H161 | 36.8° | 175.0° |
| C02 | C16 | C18 | O17 | 127.0° | 120.0° |
| C02 | C16 | C18 | H161 | 122.3° | 120.0° |
| C02 | C16 | O17 | H161 | 109.4° | 120.0° |
| C02 | C16 | C18 | O19 | 120.6° | 175.0° |
| C16 | C02 | C03 | H1 | 116.6° | 55.0° |
| C16 | C02 | C03 | H032 | 6.2° | 65.0° |
| C02 | C16 | C18 | H181 | 2.1° | 55.0° |
| C02 | C16 | C18 | H182 | 120.8° | 65.0° |
| C16 | C02 | O01 | H011 | 66.0° | 60.0° |
| C02 | C16 | O17 | H171 | 180.0° | 60.0° |
| C18 | C16 | O17 | H161 | 110.1° | 120.0° |
| C16 | C18 | O19 | H181 | 118.5° | 120.0° |
| C16 | C18 | O19 | H182 | 118.5° | 119.9° |
| C16 | C18 | O19 | P20 | 66.1° | 180.0° |
| C18 | C16 | C02 | H021 | 84.1° | 65.0° |
| C16 | C18 | H181 | H182 | 124.2° | 120.0° |
| C18 | C16 | O17 | H171 | 39.5° | 60.0° |
| O17 | C16 | C18 | O19 | 112.4° | 65.0° |
| O17 | C16 | C02 | H021 | 43.6° | 175.0° |
| O17 | C16 | C18 | H181 | 129.1° | 175.0° |
| O17 | C16 | C18 | H182 | 6.2° | 54.9° |
| C18 | O19 | P20 | O21 | 115.5° | 54.9° |
| C18 | O19 | P20 | O31 | 130.7° | 65.1° |
| C18 | O19 | P20 | C22 | 13.5° | 175.0° |
| O19 | C18 | C16 | H161 | 1.7° | 55.0° |
| O19 | C18 | H181 | H182 | 124.2° | 120.0° |
| O19 | P20 | O21 | O31 | 111.4° | 120.0° |
| O19 | P20 | O21 | C22 | 130.5° | 120.0° |
| O19 | P20 | O31 | C22 | 120.8° | 120.0° |
| O19 | P20 | C22 | P23 | 107.7° | 180.0° |
| O19 | P20 | C22 | H222 | 131.0° | 59.9° |
| O19 | P20 | C22 | H221 | 13.6° | 60.0° |
| P20 | O19 | C18 | H181 | 175.3° | 60.0° |
| P20 | O19 | C18 | H182 | 52.4° | 60.1° |
| O19 | P20 | O31 | H5 | 120.1° | 60.0° |
| O26 | P25 | O24 | O27 | 118.6° | 120.0° |
| O26 | P25 | O24 | O28 | 120.5° | 120.1° |
| O26 | P25 | O27 | O28 | 114.6° | 120.0° |
| O26 | P25 | O24 | P23 | 169.1° | 45.0° |
| O26 | P25 | O27 | H2 | 0.0° | 60.1° |
| O26 | P25 | O28 | H3 | 0.0° | 180.0° |
| O21 | P20 | O31 | C22 | 119.2° | 120.0° |
| O21 | P20 | C22 | P23 | 23.1° | 60.0° |
| O21 | P20 | C22 | H222 | 98.2° | 180.0° |
| O21 | P20 | C22 | H221 | 144.4° | 60.0° |
| O21 | P20 | O31 | H5 | 0.0° | 180.0° |
| O31 | P20 | C22 | P23 | 139.2° | 60.0° |
| O31 | P20 | C22 | H222 | 17.9° | 60.0° |
| O31 | P20 | C22 | H221 | 99.4° | 180.0° |
| P20 | C22 | P23 | O24 | 40.0° | 180.0° |
| P20 | C22 | P23 | H222 | 121.3° | 120.0° |
| P20 | C22 | P23 | H221 | 121.3° | 120.0° |
| P20 | C22 | P23 | O30 | 79.1° | 60.0° |
| P20 | C22 | P23 | O29 | 164.6° | 60.0° |
| P20 | C22 | H222 | H221 | 115.8° | 120.0° |
| C22 | P20 | O31 | H5 | 119.2° | 60.0° |
| O24 | P25 | O27 | O28 | 122.1° | 120.0° |
| P25 | O24 | P23 | C22 | 140.4° | 180.0° |
| P25 | O24 | P23 | O30 | 102.7° | 60.0° |
| P25 | O24 | P23 | O29 | 19.1° | 60.0° |
| O24 | P25 | O27 | H2 | 123.3° | 180.0° |
| O24 | P25 | O28 | H3 | 125.8° | 60.0° |
| O27 | P25 | O24 | P23 | 50.6° | 165.0° |
| O27 | P25 | O28 | H3 | 115.9° | 60.0° |
| O28 | P25 | O24 | P23 | 70.4° | 75.0° |
| O28 | P25 | O27 | H2 | 114.7° | 60.0° |
| O24 | P23 | C22 | O30 | 119.1° | 120.0° |
| O24 | P23 | C22 | O29 | 124.6° | 120.0° |
| O24 | P23 | O30 | O29 | 124.3° | 120.0° |
| O24 | P23 | C22 | H222 | 161.3° | 60.0° |
| O24 | P23 | C22 | H221 | 81.3° | 60.0° |
| O24 | P23 | O29 | H4 | 122.2° | 60.0° |
| C22 | P23 | O30 | O29 | 115.3° | 120.0° |
| P23 | C22 | H222 | H221 | 115.8° | 119.9° |
| C22 | P23 | O29 | H4 | 114.3° | 60.0° |
| O30 | P23 | C22 | H222 | 42.2° | 180.0° |
| O30 | P23 | C22 | H221 | 159.5° | 60.1° |
| O30 | P23 | O29 | H4 | 0.0° | 180.0° |
| O29 | P23 | C22 | H222 | 74.1° | 60.0° |
| O29 | P23 | C22 | H221 | 43.2° | 179.9° |
| H021 | C02 | C03 | H1 | 118.8° | 65.0° |
| H021 | C02 | C03 | H032 | 118.4° | 175.0° |
| H021 | C02 | C16 | H161 | 153.6° | 55.0° |
| H021 | C02 | O01 | H011 | 50.1° | 179.9° |
| H051 | C05 | N06 | H061 | 0.4° | 13.7° |
| H161 | C16 | C18 | H181 | 120.2° | 65.0° |
| H161 | C16 | C18 | H182 | 116.8° | 175.0° |
| H161 | C16 | O17 | H171 | 70.6° | 180.0° |
