@MOLECULE methylparaben 19 19 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.3468 0.8216 0.0012 O.3 1 UNL11111111 -0.4121 2 O 3.8323 0.3335 0.0003 O.3 1 UNL11111111 -0.4658 3 O -2.2825 -1.4266 0.0001 O.2 1 UNL11111111 -0.5090 4 C -0.2405 -0.1675 -0.0012 C.ar 1 UNL11111111 -0.2308 5 C 0.5717 -1.3054 -0.0006 C.ar 1 UNL11111111 0.0051 6 C 0.3230 1.1151 -0.0014 C.ar 1 UNL11111111 -0.0049 7 C 1.9551 -1.1764 0.0005 C.ar 1 UNL11111111 -0.3413 8 C 1.7015 1.2674 0.0000 C.ar 1 UNL11111111 -0.2798 9 C 2.4971 0.1131 0.0005 C.ar 1 UNL11111111 0.3414 10 C -1.6933 -0.3736 -0.0003 C.2 1 UNL11111111 0.6108 11 C -3.7672 0.7496 0.0002 C.3 1 UNL11111111 -0.1674 12 H 0.1074 -2.2973 -0.0006 H 1 UNL11111111 0.1742 13 H -0.3242 1.9974 -0.0018 H 1 UNL11111111 0.1713 14 H 2.5915 -2.0540 0.0016 H 1 UNL11111111 0.1680 15 H 2.1697 2.2487 0.0008 H 1 UNL11111111 0.1824 16 H -4.0653 1.8039 0.0116 H 1 UNL11111111 0.1443 17 H -4.1219 0.2228 0.8926 H 1 UNL11111111 0.1410 18 H -4.1193 0.2432 -0.9053 H 1 UNL11111111 0.1406 19 H 4.3555 -0.5060 0.0003 H 1 UNL11111111 0.3319 @BOND 1 17 11 1 2 16 11 1 3 14 7 1 4 1 10 1 5 1 11 1 6 7 9 ar 7 7 5 ar 8 19 2 1 9 2 9 1 10 9 8 ar 11 10 3 2 12 10 4 1 13 8 15 1 14 8 6 ar 15 11 18 1 16 5 4 ar 17 5 12 1 18 4 6 ar 19 6 13 1