@MOLECULE s-[2-chloro-1-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] o,o-diethyl phosphorothioate 40 41 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -3.0050 -3.0884 -0.1615 Cl 1 UNL111111 -0.1429 2 S 1.1924 -1.9995 -0.4278 S.3 1 UNL111111 0.0727 3 P 2.2054 -0.5409 0.7417 P.3 1 UNL111111 0.2154 4 O 1.2991 0.7018 0.2880 O.3 1 UNL111111 -0.3662 5 O 3.6578 -0.3633 0.1047 O.3 1 UNL111111 -0.2594 6 O -1.1431 -0.4221 -2.2469 O.2 1 UNL111111 -0.4310 7 O -1.5500 -0.3181 2.3232 O.2 1 UNL111111 -0.4017 8 O 2.4126 -0.7244 2.1767 O.2 1 UNL111111 -0.2512 9 N -1.1928 -0.6965 0.0624 N.am 1 UNL111111 -0.5787 10 C -0.6052 -2.0038 0.1831 C.3 1 UNL111111 0.0956 11 C -1.8239 1.3867 -0.7558 C.ar 1 UNL111111 -0.1151 12 C -1.9553 1.4234 0.6505 C.ar 1 UNL111111 -0.1147 13 C -1.3399 0.0310 -1.1556 C.2 1 UNL111111 0.6079 14 C -1.5575 0.0945 1.2009 C.2 1 UNL111111 0.5984 15 C -1.3110 -3.0225 -0.7044 C.3 1 UNL111111 -0.2165 16 C -2.1173 2.4838 -1.5307 C.ar 1 UNL111111 -0.0916 17 C -2.3807 2.5580 1.3002 C.ar 1 UNL111111 -0.0850 18 C -2.5513 3.6489 -0.8707 C.ar 1 UNL111111 -0.1330 19 C -2.6793 3.6849 0.5117 C.ar 1 UNL111111 -0.1346 20 C 1.4745 2.0411 0.7962 C.3 1 UNL111111 0.0235 21 C 3.9148 0.0312 -1.2651 C.3 1 UNL111111 -0.0123 22 C 1.5302 2.9157 -0.4556 C.3 1 UNL111111 -0.4755 23 C 5.0730 1.0166 -1.1149 C.3 1 UNL111111 -0.4657 24 H -0.6313 -2.3261 1.2678 H 1 UNL111111 0.2022 25 H -0.9056 -4.0437 -0.6046 H 1 UNL111111 0.1692 26 H -1.3385 -2.7399 -1.7756 H 1 UNL111111 0.1907 27 H -2.0187 2.4558 -2.6157 H 1 UNL111111 0.1717 28 H -2.4833 2.5869 2.3852 H 1 UNL111111 0.1752 29 H -2.7892 4.5333 -1.4620 H 1 UNL111111 0.1561 30 H -3.0178 4.5982 1.0015 H 1 UNL111111 0.1565 31 H 0.5505 2.2237 1.3864 H 1 UNL111111 0.1232 32 H 2.3502 2.2096 1.4511 H 1 UNL111111 0.1362 33 H 4.2314 -0.8977 -1.7841 H 1 UNL111111 0.1263 34 H 3.0686 0.4844 -1.8157 H 1 UNL111111 0.1323 35 H 1.3675 3.9685 -0.2059 H 1 UNL111111 0.1470 36 H 2.4963 2.8299 -0.9659 H 1 UNL111111 0.1531 37 H 0.7586 2.6145 -1.1775 H 1 UNL111111 0.1574 38 H 5.5504 1.2144 -2.0789 H 1 UNL111111 0.1468 39 H 4.7386 1.9707 -0.6908 H 1 UNL111111 0.1524 40 H 5.8370 0.6174 -0.4306 H 1 UNL111111 0.1652 @BOND 1 27 16 1 2 6 13 2 3 38 23 1 4 34 21 1 5 33 21 1 6 26 15 1 7 16 18 ar 8 16 11 ar 9 29 18 1 10 21 23 1 11 21 5 1 12 37 22 1 13 13 11 1 14 13 9 am 15 23 39 1 16 23 40 1 17 36 22 1 18 18 19 ar 19 11 12 ar 20 15 25 1 21 15 1 1 22 15 10 1 23 22 35 1 24 22 20 1 25 2 10 1 26 2 3 1 27 9 10 1 28 9 14 am 29 5 3 1 30 10 24 1 31 4 3 1 32 4 20 1 33 19 30 1 34 19 17 ar 35 12 14 1 36 12 17 ar 37 3 8 2 38 20 31 1 39 20 32 1 40 14 7 2 41 17 28 1