@MOLECULE dicyclohexyl phthalate 50 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.9337 -0.3846 -0.8498 C.2 1 UNL11111111 0.6064 2 C 0.9691 -1.7522 -0.2702 C.ar 1 UNL11111111 -0.0503 3 C -0.2042 -2.4511 0.0114 C.ar 1 UNL11111111 -0.0916 4 C -1.5467 -1.8591 -0.1915 C.2 1 UNL11111111 0.6084 5 C -0.1403 -3.7549 0.5059 C.ar 1 UNL11111111 -0.0950 6 C 1.1012 -4.3468 0.7312 C.ar 1 UNL11111111 -0.1471 7 C 2.2729 -3.6398 0.4668 C.ar 1 UNL11111111 -0.1162 8 C 2.2108 -2.3402 -0.0341 C.ar 1 UNL11111111 -0.1301 9 O 0.5183 -0.0648 -1.9342 O.2 1 UNL11111111 -0.4937 10 O 1.5088 0.4736 0.0187 O.3 1 UNL11111111 -0.4165 11 O -1.4875 -0.5217 -0.0340 O.3 1 UNL11111111 -0.4477 12 C 1.6010 1.8542 -0.3789 C.3 1 UNL11111111 0.1470 13 C 1.6726 2.6077 0.9539 C.3 1 UNL11111111 -0.2955 14 C 2.9612 2.2694 1.7124 C.3 1 UNL11111111 -0.2516 15 C 4.1940 2.5331 0.8386 C.3 1 UNL11111111 -0.2688 16 C 4.1217 1.6939 -0.4441 C.3 1 UNL11111111 -0.2510 17 C 2.8557 2.0316 -1.2378 C.3 1 UNL11111111 -0.3145 18 C -2.6901 0.2390 -0.2651 C.3 1 UNL11111111 0.1657 19 C -2.1555 1.6162 -0.6719 C.3 1 UNL11111111 -0.3061 20 C -3.3248 2.5972 -0.7928 C.3 1 UNL11111111 -0.2581 21 C -4.1079 2.6670 0.5258 C.3 1 UNL11111111 -0.2687 22 C -4.6280 1.2783 0.9232 C.3 1 UNL11111111 -0.2600 23 C -3.4712 0.2821 1.0506 C.3 1 UNL11111111 -0.3187 24 H -1.0639 -4.3038 0.7081 H 1 UNL11111111 0.1747 25 H 1.1537 -5.3641 1.1158 H 1 UNL11111111 0.1553 26 H 3.2415 -4.1033 0.6508 H 1 UNL11111111 0.1538 27 H 3.1258 -1.7837 -0.2360 H 1 UNL11111111 0.1646 28 H 0.6832 2.1243 -0.9497 H 1 UNL11111111 0.1343 29 H 0.7929 2.3464 1.5751 H 1 UNL11111111 0.1503 30 H 1.6122 3.6947 0.7619 H 1 UNL11111111 0.1422 31 H 2.9392 1.2041 2.0184 H 1 UNL11111111 0.1496 32 H 3.0192 2.8562 2.6460 H 1 UNL11111111 0.1268 33 H 5.1151 2.2918 1.3988 H 1 UNL11111111 0.1284 34 H 4.2619 3.6072 0.5881 H 1 UNL11111111 0.1327 35 H 4.1234 0.6172 -0.1856 H 1 UNL11111111 0.1410 36 H 5.0188 1.8645 -1.0655 H 1 UNL11111111 0.1272 37 H 2.7835 1.3884 -2.1374 H 1 UNL11111111 0.1557 38 H 2.9027 3.0718 -1.6101 H 1 UNL11111111 0.1443 39 H -3.2737 -0.2398 -1.0808 H 1 UNL11111111 0.1421 40 H -1.5992 1.5367 -1.6271 H 1 UNL11111111 0.1610 41 H -1.4240 1.9721 0.0779 H 1 UNL11111111 0.1509 42 H -3.9961 2.2902 -1.6168 H 1 UNL11111111 0.1384 43 H -2.9495 3.6002 -1.0664 H 1 UNL11111111 0.1333 44 H -4.9511 3.3744 0.4305 H 1 UNL11111111 0.1291 45 H -3.4607 3.0697 1.3272 H 1 UNL11111111 0.1376 46 H -5.3575 0.9181 0.1730 H 1 UNL11111111 0.1394 47 H -5.1815 1.3385 1.8781 H 1 UNL11111111 0.1330 48 H -2.7985 0.5691 1.8806 H 1 UNL11111111 0.1528 49 O -2.5652 -2.4580 -0.4282 O.2 1 UNL11111111 -0.4970 50 H -3.8497 -0.7277 1.2991 H 1 UNL11111111 0.1527 @BOND 1 37 17 1 2 9 1 2 3 40 19 1 4 42 20 1 5 38 17 1 6 17 16 1 7 17 12 1 8 39 18 1 9 43 20 1 10 36 16 1 11 28 12 1 12 1 2 1 13 1 10 1 14 20 19 1 15 20 21 1 16 19 18 1 17 19 41 1 18 16 35 1 19 16 15 1 20 49 4 2 21 12 10 1 22 12 13 1 23 2 8 ar 24 2 3 ar 25 18 11 1 26 18 23 1 27 27 8 1 28 4 11 1 29 4 3 1 30 8 7 ar 31 3 5 ar 32 46 22 1 33 44 21 1 34 7 26 1 35 7 6 ar 36 5 24 1 37 5 6 ar 38 21 22 1 39 21 45 1 40 34 15 1 41 6 25 1 42 30 13 1 43 15 33 1 44 15 14 1 45 22 23 1 46 22 47 1 47 13 29 1 48 13 14 1 49 23 50 1 50 23 48 1 51 14 31 1 52 14 32 1