A1BIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C11 | doub | 1.21Å | 1.19Å | |
| C11 | O09 | sing | 1.34Å | 1.22Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | O08 | sing | 1.44Å | 1.46Å | |
| C10 | C12 | sing | 1.53Å | 1.56Å | |
| O08 | C03 | sing | 1.41Å | 1.47Å | |
| O03 | P01 | doub | 1.48Å | 1.46Å | |
| C12 | O11 | sing | 1.43Å | 1.43Å | |
| C12 | C01 | sing | 1.54Å | 1.55Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.55Å | 1.52Å | |
| O04 | P01 | sing | 1.61Å | 1.47Å | |
| O06 | C06 | doub | 1.22Å | 1.23Å | |
| N01 | C01 | sing | 1.47Å | 1.48Å | |
| P01 | O01 | sing | 1.61Å | 1.61Å | |
| P01 | O02 | sing | 1.61Å | 1.49Å | |
| C04 | O01 | sing | 1.43Å | 1.42Å | |
| C04 | C05 | sing | 1.55Å | 1.56Å | |
| C01 | C02 | sing | 1.52Å | 1.53Å | |
| C02 | O07 | sing | 1.42Å | 1.45Å | |
| C06 | N03 | sing | 1.35Å | 1.35Å | |
| C06 | N02 | sing | 1.35Å | 1.36Å | |
| N03 | C07 | sing | 1.35Å | 1.34Å | |
| C05 | O07 | sing | 1.45Å | 1.46Å | |
| C05 | N02 | sing | 1.46Å | 1.49Å | |
| N02 | C09 | sing | 1.37Å | 1.40Å | |
| C07 | O05 | doub | 1.22Å | 1.21Å | |
| C07 | C08 | sing | 1.42Å | 1.47Å | |
| C09 | C08 | doub | 1.35Å | 1.37Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| N01 | H10 | sing | 1.01Å | 1.00Å | |
| N01 | H11 | sing | 1.01Å | 1.00Å | |
| N03 | H13 | sing | 0.97Å | 1.00Å | |
| O02 | H14 | sing | 0.97Å | 0.95Å | |
| O04 | H15 | sing | 0.97Å | 0.95Å | |
| O09 | H16 | sing | 0.97Å | 0.95Å | |
| O11 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C11 | O09 | 125.7° | 120.0° |
| O10 | C11 | C10 | 114.3° | 120.0° |
| O09 | C11 | C10 | 120.0° | 120.0° |
| C11 | O09 | H16 | 109.5° | 117.0° |
| C11 | C10 | O08 | 111.1° | 109.0° |
| C11 | C10 | C12 | 110.1° | 109.0° |
| C11 | C10 | H8 | 107.3° | 108.9° |
| O08 | C10 | C12 | 113.2° | 111.8° |
| C10 | O08 | C03 | 112.3° | 111.2° |
| O08 | C10 | H8 | 108.0° | 109.0° |
| C10 | C12 | O11 | 108.4° | 109.1° |
| C10 | C12 | C01 | 113.8° | 111.2° |
| C12 | C10 | H8 | 106.8° | 109.0° |
| C10 | C12 | H9 | 108.6° | 109.1° |
| O08 | C03 | C04 | 120.6° | 116.9° |
| O08 | C03 | C02 | 103.5° | 106.8° |
| O08 | C03 | H3 | 110.3° | 110.9° |
| O03 | P01 | O04 | 109.7° | 109.4° |
| O03 | P01 | O01 | 110.3° | 109.5° |
| O03 | P01 | O02 | 111.9° | 109.4° |
| O11 | C12 | C01 | 107.0° | 109.2° |
| O11 | C12 | H9 | 110.3° | 109.1° |
| C12 | O11 | H17 | 109.5° | 114.1° |
| C12 | C01 | N01 | 112.4° | 110.1° |
| C12 | C01 | C02 | 105.1° | 106.8° |
| C12 | C01 | H1 | 108.4° | 110.0° |
| C01 | C12 | H9 | 108.7° | 109.1° |
| C04 | C03 | C02 | 102.5° | 100.8° |
| C03 | C04 | O01 | 107.3° | 110.7° |
| C03 | C04 | C05 | 102.0° | 103.1° |
| C04 | C03 | H3 | 109.5° | 110.4° |
| C03 | C04 | H4 | 112.9° | 110.7° |
| C03 | C02 | C01 | 112.9° | 106.7° |
| C03 | C02 | O07 | 103.3° | 102.6° |
| C03 | C02 | H2 | 109.7° | 110.1° |
| C02 | C03 | H3 | 109.5° | 110.4° |
| O04 | P01 | O01 | 107.2° | 109.5° |
| O04 | P01 | O02 | 111.4° | 109.5° |
| P01 | O04 | H15 | 109.5° | 114.0° |
| O06 | C06 | N03 | 119.5° | 119.6° |
| O06 | C06 | N02 | 124.8° | 119.5° |
| N01 | C01 | C02 | 112.6° | 109.9° |
| N01 | C01 | H1 | 109.4° | 110.0° |
| C01 | N01 | H10 | 109.5° | 111.0° |
| C01 | N01 | H11 | 109.5° | 111.0° |
| O01 | P01 | O02 | 106.2° | 109.5° |
| P01 | O01 | C04 | 119.6° | 123.0° |
| P01 | O02 | H14 | 109.5° | 114.0° |
| O01 | C04 | C05 | 106.7° | 110.7° |
| O01 | C04 | H4 | 114.7° | 110.6° |
| C04 | C05 | O07 | 107.2° | 107.0° |
| C04 | C05 | N02 | 114.8° | 109.9° |
| C05 | C04 | H4 | 112.3° | 110.8° |
| C04 | C05 | H5 | 108.4° | 109.9° |
| C01 | C02 | O07 | 110.6° | 117.4° |
| C02 | C01 | H1 | 108.7° | 110.0° |
| C01 | C02 | H2 | 109.6° | 109.8° |
| C02 | O07 | C05 | 106.5° | 105.3° |
| O07 | C02 | H2 | 110.8° | 109.8° |
| N03 | C06 | N02 | 115.7° | 120.9° |
| C06 | N03 | C07 | 128.3° | 120.3° |
| C06 | N03 | H13 | 115.9° | 119.8° |
| C06 | N02 | C05 | 120.6° | 119.7° |
| C06 | N02 | C09 | 124.3° | 120.6° |
| N03 | C07 | O05 | 118.8° | 120.3° |
| N03 | C07 | C08 | 113.8° | 119.4° |
| C07 | N03 | H13 | 115.9° | 119.9° |
| O07 | C05 | N02 | 107.4° | 110.0° |
| O07 | C05 | H5 | 109.7° | 109.9° |
| C05 | N02 | C09 | 115.0° | 119.7° |
| N02 | C05 | H5 | 109.3° | 110.1° |
| N02 | C09 | C08 | 116.5° | 119.7° |
| N02 | C09 | H7 | 121.8° | 120.1° |
| O05 | C07 | C08 | 127.4° | 120.3° |
| C07 | C08 | C09 | 121.4° | 119.1° |
| C07 | C08 | H6 | 119.3° | 120.4° |
| C09 | C08 | H6 | 119.3° | 120.5° |
| C08 | C09 | H7 | 121.7° | 120.2° |
| H10 | N01 | H11 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C11 | O09 | C10 | 179.3° | 179.9° |
| O10 | C11 | C10 | O08 | 160.8° | 5.1° |
| O10 | C11 | C10 | C12 | 73.0° | 117.2° |
| O10 | C11 | C10 | H8 | 42.9° | 123.9° |
| O10 | C11 | O09 | H16 | 0.0° | 0.1° |
| O09 | C11 | C10 | O08 | 18.6° | 175.0° |
| O09 | C11 | C10 | C12 | 107.6° | 62.7° |
| O09 | C11 | C10 | H8 | 136.5° | 56.1° |
| C11 | C10 | O08 | C12 | 124.5° | 120.6° |
| C11 | C10 | O08 | H8 | 117.5° | 118.8° |
| C11 | C10 | C12 | H8 | 116.2° | 118.8° |
| C11 | C10 | O08 | C03 | 179.1° | 179.3° |
| C11 | C10 | C12 | O11 | 51.3° | 51.8° |
| C11 | C10 | C12 | C01 | 170.2° | 172.2° |
| C11 | C10 | C12 | H9 | 68.6° | 67.4° |
| C10 | C11 | O09 | H16 | 179.3° | 180.0° |
| O08 | C10 | C12 | H8 | 118.7° | 120.6° |
| O08 | C10 | C12 | O11 | 73.8° | 68.8° |
| O08 | C10 | C12 | C01 | 45.2° | 51.6° |
| C10 | O08 | C03 | C04 | 178.0° | 178.5° |
| C10 | O08 | C03 | C02 | 64.3° | 66.6° |
| C10 | O08 | C03 | H3 | 52.8° | 53.8° |
| O08 | C10 | C12 | H9 | 166.3° | 172.0° |
| C12 | C10 | O08 | C03 | 54.6° | 58.6° |
| C10 | C12 | O11 | C01 | 123.2° | 121.7° |
| C10 | C12 | O11 | H9 | 118.8° | 119.1° |
| C10 | C12 | C01 | H9 | 121.1° | 120.4° |
| C10 | C12 | C01 | N01 | 76.4° | 65.2° |
| C10 | C12 | C01 | C02 | 46.4° | 54.1° |
| C10 | C12 | C01 | H1 | 162.5° | 173.5° |
| C10 | C12 | O11 | H17 | 180.0° | 60.1° |
| O08 | C03 | C04 | C02 | 114.2° | 115.3° |
| O08 | C03 | C04 | H3 | 129.6° | 127.9° |
| O08 | C03 | C02 | H3 | 117.6° | 120.7° |
| O08 | C03 | C04 | O01 | 34.1° | 23.5° |
| O08 | C03 | C04 | C05 | 146.1° | 142.0° |
| O08 | C03 | C02 | C01 | 70.7° | 69.1° |
| O08 | C03 | C02 | O07 | 169.8° | 166.9° |
| O08 | C03 | C02 | H2 | 51.7° | 50.0° |
| O08 | C03 | C04 | H4 | 93.1° | 99.5° |
| C03 | O08 | C10 | H8 | 63.4° | 62.0° |
| O03 | P01 | O04 | O01 | 119.7° | 120.0° |
| O03 | P01 | O04 | O02 | 124.5° | 119.9° |
| O03 | P01 | O01 | O02 | 121.4° | 120.0° |
| O03 | P01 | O01 | C04 | 31.5° | 55.0° |
| O03 | P01 | O02 | H14 | 0.0° | 60.0° |
| O03 | P01 | O04 | H15 | 0.0° | 180.0° |
| O11 | C12 | C01 | H9 | 119.2° | 119.2° |
| O11 | C12 | C01 | N01 | 163.8° | 174.4° |
| O11 | C12 | C01 | C02 | 73.4° | 66.3° |
| O11 | C12 | C01 | H1 | 42.7° | 53.1° |
| O11 | C12 | C10 | H8 | 167.5° | 170.6° |
| C12 | C01 | C02 | C03 | 61.6° | 61.9° |
| C12 | C01 | N01 | C02 | 118.5° | 117.4° |
| C12 | C01 | N01 | H1 | 120.6° | 121.4° |
| C12 | C01 | C02 | H1 | 115.9° | 119.4° |
| C12 | C01 | C02 | O07 | 176.7° | 176.2° |
| C12 | C01 | C02 | H2 | 60.9° | 57.4° |
| C01 | C12 | C10 | H8 | 73.5° | 69.0° |
| C12 | C01 | N01 | H10 | 180.0° | 62.6° |
| C12 | C01 | N01 | H11 | 60.0° | 61.3° |
| C01 | C12 | O11 | H17 | 56.8° | 178.2° |
| C04 | C03 | C02 | H3 | 116.2° | 116.7° |
| C03 | C04 | O01 | P01 | 128.3° | 120.0° |
| C03 | C04 | O01 | C05 | 108.7° | 113.7° |
| C03 | C04 | O01 | H4 | 126.2° | 123.1° |
| C03 | C04 | C05 | H4 | 121.2° | 118.5° |
| C04 | C03 | C02 | C01 | 163.1° | 168.3° |
| C04 | C03 | C02 | O07 | 43.6° | 44.2° |
| C03 | C04 | C05 | O07 | 10.2° | 1.7° |
| C03 | C04 | C05 | N02 | 109.0° | 117.7° |
| C04 | C03 | C02 | H2 | 74.5° | 72.6° |
| C03 | C04 | C05 | H5 | 128.6° | 121.0° |
| C03 | C02 | C01 | N01 | 61.1° | 57.5° |
| C02 | C03 | C04 | O01 | 80.1° | 91.8° |
| C02 | C03 | C04 | C05 | 31.9° | 26.7° |
| C03 | C02 | C01 | O07 | 115.1° | 114.3° |
| C03 | C02 | C01 | H2 | 122.5° | 119.3° |
| C03 | C02 | O07 | H2 | 117.3° | 117.0° |
| C03 | C02 | O07 | C05 | 37.5° | 44.4° |
| C03 | C02 | C01 | H1 | 177.5° | 178.8° |
| C02 | C03 | C04 | H4 | 152.7° | 145.2° |
| O04 | P01 | O01 | O02 | 119.2° | 120.0° |
| O04 | P01 | O01 | C04 | 150.9° | 65.0° |
| O04 | P01 | O02 | H14 | 123.2° | 60.0° |
| O06 | C06 | N03 | N02 | 178.3° | 179.7° |
| O06 | C06 | N03 | C07 | 178.2° | 179.8° |
| O06 | C06 | N02 | C05 | 3.9° | 0.3° |
| O06 | C06 | N02 | C09 | 179.8° | 179.7° |
| O06 | C06 | N03 | H13 | 1.9° | 0.3° |
| N01 | C01 | C02 | H1 | 121.3° | 121.2° |
| N01 | C01 | C02 | O07 | 54.0° | 56.8° |
| N01 | C01 | C02 | H2 | 176.4° | 176.8° |
| N01 | C01 | C12 | H9 | 44.7° | 55.3° |
| C01 | N01 | H10 | H11 | 120.0° | 123.9° |
| P01 | O01 | C04 | C05 | 123.0° | 126.3° |
| P01 | O01 | C04 | H4 | 2.1° | 3.1° |
| O01 | P01 | O02 | H14 | 120.4° | 180.0° |
| O01 | P01 | O04 | H15 | 119.7° | 60.0° |
| O02 | P01 | O01 | C04 | 89.9° | 175.0° |
| O02 | P01 | O04 | H15 | 124.5° | 60.0° |
| O01 | C04 | C05 | H4 | 126.4° | 123.1° |
| O01 | C04 | C05 | O07 | 102.2° | 116.7° |
| O01 | C04 | C05 | N02 | 138.6° | 123.9° |
| O01 | C04 | C03 | H3 | 163.7° | 151.5° |
| O01 | C04 | C05 | H5 | 16.2° | 2.6° |
| C04 | C05 | O07 | C02 | 17.0° | 27.0° |
| C04 | C05 | N02 | C06 | 54.7° | 115.0° |
| C04 | C05 | O07 | N02 | 123.8° | 119.4° |
| C04 | C05 | O07 | H5 | 117.5° | 119.3° |
| C04 | C05 | N02 | H5 | 122.0° | 121.2° |
| C04 | C05 | N02 | C09 | 128.7° | 65.0° |
| C05 | C04 | C03 | H3 | 84.3° | 90.1° |
| C01 | C02 | O07 | H2 | 121.7° | 126.3° |
| C01 | C02 | O07 | C05 | 158.5° | 161.1° |
| C01 | C02 | C03 | H3 | 46.9° | 51.6° |
| C02 | C01 | C12 | H9 | 167.5° | 174.6° |
| C02 | C01 | N01 | H10 | 61.5° | 180.0° |
| C02 | C01 | N01 | H11 | 178.5° | 56.1° |
| C02 | O07 | C05 | N02 | 140.8° | 146.4° |
| O07 | C02 | C01 | H1 | 67.3° | 64.4° |
| O07 | C02 | C03 | H3 | 72.6° | 72.5° |
| C02 | O07 | C05 | H5 | 100.6° | 92.3° |
| C06 | N03 | C07 | H13 | 180.0° | 180.0° |
| N03 | C06 | N02 | C05 | 177.9° | 180.0° |
| N03 | C06 | N02 | C09 | 1.7° | 0.0° |
| C06 | N03 | C07 | O05 | 179.6° | 180.0° |
| C06 | N03 | C07 | C08 | 0.9° | 0.0° |
| N02 | C06 | N03 | C07 | 0.1° | 0.0° |
| C06 | N02 | C05 | O07 | 64.3° | 127.4° |
| C06 | N02 | C05 | C09 | 176.6° | 180.0° |
| C06 | N02 | C09 | C08 | 2.4° | 0.0° |
| C06 | N02 | C05 | H5 | 176.7° | 6.2° |
| C06 | N02 | C09 | H7 | 177.6° | 180.0° |
| N02 | C06 | N03 | H13 | 179.9° | 180.0° |
| N03 | C07 | O05 | C08 | 179.4° | 179.9° |
| N03 | C07 | C08 | C09 | 0.0° | 0.0° |
| N03 | C07 | C08 | H6 | 180.0° | 180.0° |
| O07 | C05 | N02 | H5 | 118.9° | 121.2° |
| O07 | C05 | N02 | C09 | 112.2° | 52.6° |
| C05 | O07 | C02 | H2 | 79.8° | 72.6° |
| O07 | C05 | C04 | H4 | 131.4° | 120.2° |
| C05 | N02 | C09 | C08 | 178.9° | 180.0° |
| N02 | C05 | C04 | H4 | 12.2° | 0.8° |
| C05 | N02 | C09 | H7 | 1.1° | 0.0° |
| N02 | C09 | C08 | C07 | 1.5° | 0.0° |
| N02 | C09 | C08 | H7 | 180.0° | 180.0° |
| C09 | N02 | C05 | H5 | 6.7° | 173.8° |
| N02 | C09 | C08 | H6 | 178.5° | 180.0° |
| O05 | C07 | C08 | C09 | 179.5° | 180.0° |
| O05 | C07 | C08 | H6 | 0.6° | 0.1° |
| O05 | C07 | N03 | H13 | 0.4° | 0.1° |
| C07 | C08 | C09 | H6 | 180.0° | 180.0° |
| C07 | C08 | C09 | H7 | 178.5° | 180.0° |
| C08 | C07 | N03 | H13 | 179.1° | 180.0° |
| H1 | C01 | C02 | H2 | 55.0° | 62.0° |
| H1 | C01 | C12 | H9 | 76.4° | 66.1° |
| H1 | C01 | N01 | H10 | 59.4° | 58.7° |
| H1 | C01 | N01 | H11 | 60.6° | 177.3° |
| H2 | C02 | C03 | H3 | 169.3° | 170.7° |
| H3 | C03 | C04 | H4 | 36.4° | 28.5° |
| H4 | C04 | C05 | H5 | 110.3° | 120.5° |
| H6 | C08 | C09 | H7 | 1.5° | 0.0° |
| H8 | C10 | C12 | H9 | 47.6° | 51.4° |
| H9 | C12 | O11 | H17 | 61.3° | 59.1° |
