HMDB0014585 RDKit 3D Entecavir 35 37 0 0 0 0 0 0 0 0999 V2000 -0.5836 0.5787 2.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1518 0.4776 0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7486 1.1167 -0.4704 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5650 1.6482 -0.4503 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9098 2.9237 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 3.0632 -0.5928 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 1.8690 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0573 1.4178 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 2.2078 -0.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2244 0.1243 0.3013 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 -0.7139 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3136 -2.0827 0.7128 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 -0.2835 0.1442 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7115 1.0013 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 0.0107 -1.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 -0.9741 -0.8242 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9825 -1.2826 -1.6488 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 -0.3172 0.4712 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6914 -1.3382 1.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8262 -2.0624 1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 0.0399 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 1.1721 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 1.8945 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2274 3.7309 -0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -2.6572 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 -2.4885 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 -0.9532 0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.4485 -1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 0.4110 -2.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -1.9172 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -2.2689 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2377 0.3455 0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 -1.9945 1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 -0.8138 2.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5886 -1.4367 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 3 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 18 2 1 0 14 4 1 0 14 7 2 0 1 21 1 0 1 22 1 0 3 23 1 6 5 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 15 28 1 0 15 29 1 0 16 30 1 1 17 31 1 0 18 32 1 6 19 33 1 0 19 34 1 0 20 35 1 0 M END