@MOLECULE (2-cyclopentylacetyl) hexanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 7.4104 -0.8397 0.3373 C.3 1 UNL111111111111 -0.4433 2 C 6.2183 0.1162 0.3060 C.3 1 UNL111111111111 -0.2481 3 C 4.9042 -0.6543 0.1186 C.3 1 UNL111111111111 -0.2702 4 C 3.7136 0.3100 0.0905 C.3 1 UNL111111111111 -0.2586 5 C 2.4056 -0.4581 -0.1161 C.3 1 UNL111111111111 -0.3512 6 C 1.2449 0.4895 -0.1156 C.2 1 UNL111111111111 0.6369 7 O 1.2306 1.6741 0.0218 O.2 1 UNL111111111111 -0.4254 8 O 0.0974 -0.2628 -0.2520 O.3 1 UNL111111111111 -0.5650 9 C -1.1433 0.2650 -0.5456 C.2 1 UNL111111111111 0.6390 10 O -1.2923 1.3770 -0.9496 O.2 1 UNL111111111111 -0.4244 11 C -2.1517 -0.8215 -0.3323 C.3 1 UNL111111111111 -0.3721 12 C -3.5731 -0.2537 -0.3697 C.3 1 UNL111111111111 -0.0784 13 C -4.6282 -1.3778 -0.3767 C.3 1 UNL111111111111 -0.2783 14 C -5.8842 -0.7709 0.2744 C.3 1 UNL111111111111 -0.2631 15 C -5.4316 0.4860 1.0459 C.3 1 UNL111111111111 -0.2598 16 C -3.9072 0.5955 0.8721 C.3 1 UNL111111111111 -0.2770 17 H 7.3256 -1.5610 1.1575 H 1 UNL111111111111 0.1420 18 H 7.4941 -1.4091 -0.5949 H 1 UNL111111111111 0.1423 19 H 8.3519 -0.2962 0.4750 H 1 UNL111111111111 0.1427 20 H 6.1821 0.7053 1.2423 H 1 UNL111111111111 0.1368 21 H 6.3464 0.8530 -0.5099 H 1 UNL111111111111 0.1372 22 H 4.9437 -1.2429 -0.8171 H 1 UNL111111111111 0.1371 23 H 4.7815 -1.3906 0.9348 H 1 UNL111111111111 0.1364 24 H 3.6699 0.8944 1.0315 H 1 UNL111111111111 0.1537 25 H 3.8453 1.0618 -0.7136 H 1 UNL111111111111 0.1546 26 H 2.4269 -1.0284 -1.0698 H 1 UNL111111111111 0.1788 27 H 2.2667 -1.2254 0.6762 H 1 UNL111111111111 0.1794 28 H -2.0218 -1.5985 -1.1176 H 1 UNL111111111111 0.1804 29 H -1.9583 -1.3477 0.6272 H 1 UNL111111111111 0.1824 30 H -3.6958 0.3756 -1.2845 H 1 UNL111111111111 0.1529 31 H -4.8308 -1.7370 -1.3967 H 1 UNL111111111111 0.1331 32 H -4.2806 -2.2512 0.1995 H 1 UNL111111111111 0.1346 33 H -6.6335 -0.5080 -0.4901 H 1 UNL111111111111 0.1325 34 H -6.3720 -1.4961 0.9438 H 1 UNL111111111111 0.1299 35 H -5.9347 1.3847 0.6515 H 1 UNL111111111111 0.1355 36 H -5.7063 0.4227 2.1101 H 1 UNL111111111111 0.1313 37 H -3.3864 0.2169 1.7668 H 1 UNL111111111111 0.1356 38 H -3.5806 1.6406 0.7423 H 1 UNL111111111111 0.1498 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 12 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 16 37 1 38 16 38 1