HMDB0015182 RDKit 3D Abacavir 39 42 0 0 0 0 0 0 0 0999 V2000 2.1995 -3.1734 -1.3424 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -1.8948 -0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 -0.8670 -0.8209 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 0.3386 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 1.3997 -0.3525 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 1.1892 -0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3887 0.1511 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 1.6050 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0211 0.5345 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 1.5714 0.7145 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8887 1.1731 1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -0.1164 0.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2478 -0.8827 0.9133 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0832 -0.3404 2.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -0.0789 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4226 -0.4057 0.1481 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8138 0.8181 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 1.8231 -0.5757 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1158 -0.9762 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 -0.5264 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 -1.6946 -0.3247 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 -4.0714 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9093 -3.2651 -2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 2.3342 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.3410 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0867 -0.4329 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -0.4167 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 2.0579 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6272 1.9980 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 1.8342 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9934 -1.9406 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 -0.1985 3.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 0.3240 2.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -1.1406 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9878 0.5577 -1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7706 1.1769 -0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3168 2.6848 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 -2.0331 -0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6859 -0.4570 -1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 4 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 12 20 1 0 20 21 2 0 21 2 1 0 8 6 1 0 20 9 1 0 19 13 1 0 1 22 1 0 1 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 13 31 1 1 14 32 1 0 15 33 1 0 16 34 1 1 17 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 19 39 1 0 M END