@MOLECULE sulfide, cyclopentyl ethyl 22 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.6039 0.2828 0.2447 C.3 1 UNL11111111 -0.4281 2 C 2.2410 0.5935 -0.3491 C.3 1 UNL11111111 -0.2850 3 S 1.0459 -0.6986 0.2002 S.3 1 UNL11111111 -0.0998 4 C -0.5267 -0.1088 -0.5651 C.3 1 UNL11111111 -0.1294 5 C -1.6304 -1.1546 -0.3213 C.3 1 UNL11111111 -0.2678 6 C -2.7939 -0.4188 0.3711 C.3 1 UNL11111111 -0.2602 7 C -2.5481 1.0787 0.1304 C.3 1 UNL11111111 -0.2596 8 C -1.0192 1.2193 0.0312 C.3 1 UNL11111111 -0.2816 9 H 4.3395 1.0444 -0.0485 H 1 UNL11111111 0.1467 10 H 3.5880 0.2618 1.3434 H 1 UNL11111111 0.1554 11 H 3.9972 -0.6857 -0.0948 H 1 UNL11111111 0.1548 12 H 1.8847 1.5865 -0.0223 H 1 UNL11111111 0.1479 13 H 2.2852 0.6104 -1.4523 H 1 UNL11111111 0.1483 14 H -0.3500 0.0071 -1.6559 H 1 UNL11111111 0.1418 15 H -1.9595 -1.5893 -1.2821 H 1 UNL11111111 0.1392 16 H -1.2982 -2.0121 0.2897 H 1 UNL11111111 0.1510 17 H -3.7702 -0.7413 -0.0200 H 1 UNL11111111 0.1328 18 H -2.8010 -0.6398 1.4528 H 1 UNL11111111 0.1391 19 H -3.0335 1.4106 -0.8028 H 1 UNL11111111 0.1350 20 H -2.9644 1.6990 0.9381 H 1 UNL11111111 0.1346 21 H -0.5971 1.4073 1.0353 H 1 UNL11111111 0.1524 22 H -0.7298 2.0815 -0.5895 H 1 UNL11111111 0.1327 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 4 8 1 9 1 9 1 10 1 10 1 11 1 11 1 12 2 12 1 13 2 13 1 14 4 14 1 15 5 15 1 16 5 16 1 17 6 17 1 18 6 18 1 19 7 19 1 20 7 20 1 21 8 21 1 22 8 22 1