@MOLECULE depleil 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.9559 0.7221 0.1251 Cl 1 UNL111111111 0.0026 2 CL -4.1945 -1.7564 -1.0611 Cl 1 UNL111111111 -0.0618 3 CL -3.4711 -1.1943 1.6465 Cl 1 UNL111111111 -0.0618 4 CL 3.3609 -2.6685 -0.0461 Cl 1 UNL111111111 -0.0279 5 S -0.5727 2.1339 -0.1569 S.O2 1 UNL111111111 2.3741 6 S 4.5252 0.3764 0.0110 S.O2 1 UNL111111111 2.3747 7 O -0.8678 2.6334 -1.4693 O.2 1 UNL111111111 -0.8528 8 O -0.1996 2.9834 0.9390 O.2 1 UNL111111111 -0.8597 9 O 5.3485 -0.6187 -0.6260 O.2 1 UNL111111111 -0.8955 10 O 4.6586 1.7802 -0.3020 O.2 1 UNL111111111 -0.9144 11 N -2.0258 1.2865 0.3770 N.3 1 UNL111111111 -0.8843 12 N -1.2902 -0.8649 -0.4340 N.pl3 1 UNL111111111 -0.6175 13 N 4.8257 0.2301 1.7116 N.3 1 UNL111111111 -0.9445 14 C -2.3754 0.1592 -0.4454 C.3 1 UNL111111111 0.2607 15 C 0.5294 0.7851 -0.2560 C.ar 1 UNL111111111 -0.5929 16 C 0.0432 -0.5407 -0.3360 C.ar 1 UNL111111111 0.3918 17 C 1.9020 1.0245 -0.1968 C.ar 1 UNL111111111 0.1203 18 C -3.6963 -0.4851 0.0506 C.3 1 UNL111111111 0.0436 19 C 2.8203 -0.0247 -0.1433 C.ar 1 UNL111111111 -0.5214 20 C 0.9751 -1.6105 -0.3051 C.ar 1 UNL111111111 -0.3782 21 C 2.3191 -1.3271 -0.1843 C.ar 1 UNL111111111 0.2040 22 H -2.5081 0.5068 -1.5292 H 1 UNL111111111 0.2078 23 H -2.2012 1.2190 1.3771 H 1 UNL111111111 0.3286 24 H -1.5519 -1.8451 -0.4497 H 1 UNL111111111 0.3311 25 H 2.2760 2.0694 -0.1707 H 1 UNL111111111 0.1966 26 H 0.6202 -2.6379 -0.3542 H 1 UNL111111111 0.1819 27 H 5.1355 1.0660 2.1821 H 1 UNL111111111 0.2975 28 H 5.3623 -0.5667 2.0124 H 1 UNL111111111 0.2972 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 21 1 5 5 7 2 6 5 8 2 7 5 11 1 8 5 15 1 9 6 9 2 10 6 10 2 11 6 13 1 12 6 19 1 13 11 14 1 14 11 23 1 15 12 14 1 16 12 16 1 17 12 24 1 18 13 27 1 19 13 28 1 20 14 18 1 21 14 22 1 22 15 16 ar 23 15 17 ar 24 16 20 ar 25 17 19 ar 26 17 25 1 27 19 21 ar 28 20 21 ar 29 20 26 1