@MOLECULE (1r,2s,5r)-2-isopropyl-5-methylcyclohexyl carbonochloridate 33 33 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.5540 0.2508 -0.5936 Cl 1 UNL111111111 -0.1143 2 O -1.1177 0.0524 -0.3001 O.3 1 UNL111111111 -0.3974 3 O -2.1514 1.2635 1.3443 O.2 1 UNL111111111 -0.4255 4 C 1.0103 -0.9083 -0.3720 C.3 1 UNL111111111 -0.1513 5 C 0.2057 0.2301 0.2774 C.3 1 UNL111111111 0.1295 6 C 2.4862 -0.7275 0.0143 C.3 1 UNL111111111 -0.2752 7 C 2.1858 1.7682 0.2225 C.3 1 UNL111111111 -0.0641 8 C 0.6990 1.6137 -0.1389 C.3 1 UNL111111111 -0.3449 9 C 3.0013 0.6432 -0.4381 C.3 1 UNL111111111 -0.2904 10 C 0.4396 -2.2877 0.0297 C.3 1 UNL111111111 -0.0745 11 C 2.6967 3.1365 -0.2358 C.3 1 UNL111111111 -0.4563 12 C 1.0232 -3.3818 -0.8736 C.3 1 UNL111111111 -0.4522 13 C 0.6884 -2.6389 1.5000 C.3 1 UNL111111111 -0.4532 14 C -2.1343 0.6235 0.3395 C.2 1 UNL111111111 0.5918 15 H 0.9154 -0.8126 -1.4839 H 1 UNL111111111 0.1565 16 H 0.1308 0.1219 1.3795 H 1 UNL111111111 0.1428 17 H 3.0920 -1.5307 -0.4441 H 1 UNL111111111 0.1433 18 H 2.6177 -0.8385 1.1073 H 1 UNL111111111 0.1439 19 H 2.2979 1.6930 1.3314 H 1 UNL111111111 0.1353 20 H 0.0994 2.4008 0.3585 H 1 UNL111111111 0.1593 21 H 0.5498 1.7611 -1.2262 H 1 UNL111111111 0.1608 22 H 4.0710 0.7499 -0.1810 H 1 UNL111111111 0.1389 23 H 2.9464 0.7281 -1.5391 H 1 UNL111111111 0.1432 24 H -0.6685 -2.2553 -0.1406 H 1 UNL111111111 0.1467 25 H 2.1304 3.9508 0.2307 H 1 UNL111111111 0.1484 26 H 3.7503 3.2776 0.0297 H 1 UNL111111111 0.1451 27 H 2.6127 3.2575 -1.3215 H 1 UNL111111111 0.1471 28 H 2.1059 -3.4811 -0.7451 H 1 UNL111111111 0.1427 29 H 0.5771 -4.3570 -0.6482 H 1 UNL111111111 0.1460 30 H 0.8315 -3.1722 -1.9316 H 1 UNL111111111 0.1443 31 H 1.7519 -2.7979 1.7071 H 1 UNL111111111 0.1447 32 H 0.1655 -3.5637 1.7724 H 1 UNL111111111 0.1472 33 H 0.3302 -1.8543 2.1742 H 1 UNL111111111 0.1422 @BOND 1 1 14 1 2 2 5 1 3 2 14 1 4 3 14 2 5 4 5 1 6 4 6 1 7 4 10 1 8 4 15 1 9 5 8 1 10 5 16 1 11 6 9 1 12 6 17 1 13 6 18 1 14 7 8 1 15 7 9 1 16 7 11 1 17 7 19 1 18 8 20 1 19 8 21 1 20 9 22 1 21 9 23 1 22 10 12 1 23 10 13 1 24 10 24 1 25 11 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1