@MOLECULE FDBD00429 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 Cl 4.4139 3.1040 0.6416 Cl 1 UNK -0.0814 2 S 1.2871 -2.2547 -0.1769 S.O2 1 UNK 0.1824 3 S1 5.8381 0.5942 -0.8168 S.O2 1 UNK 0.0574 4 S2 -3.0164 -0.2354 0.2351 S.3 1 UNK -0.1438 5 O 1.1664 -2.4158 -1.6145 O.2 1 UNK -0.1250 6 O1 1.9964 -3.2403 0.6186 O.2 1 UNK -0.1250 7 O2 5.9844 -0.3918 -1.8758 O.2 1 UNK -0.1532 8 O3 6.1751 1.9867 -1.0669 O.2 1 UNK -0.1532 9 N 0.2157 0.2304 1.1367 N.pl3 1 UNK -0.2002 10 N1 -0.1978 -2.0369 0.4553 N.2 1 UNK 0.0914 11 N2 6.6915 0.0587 0.5619 N.3 1 UNK -0.2035 12 C 2.1678 -0.7433 0.0538 C.ar 1 UNK 0.1808 13 C1 1.5342 0.3273 0.6834 C.ar 1 UNK 0.1490 14 C2 3.4831 -0.6626 -0.4047 C.ar 1 UNK -0.0010 15 C3 4.1891 0.5243 -0.2293 C.ar 1 UNK 0.1254 16 C4 -0.5423 -0.9101 0.9979 C.cat 1 UNK 0.3278 17 C5 2.2607 1.5123 0.8506 C.ar 1 UNK 0.0053 18 C6 3.5795 1.6108 0.3975 C.ar 1 UNK 0.0712 19 C7 -1.9475 -0.8301 1.5518 C.3 1 UNK 0.0995 20 C8 -4.5893 -0.2306 1.1310 C.3 1 UNK 0.0193 21 C9 -5.7308 0.2368 0.2706 C.ar 1 UNK -0.0375 22 C10 -6.4536 -0.6887 -0.4709 C.ar 1 UNK -0.0578 23 C11 -6.0481 1.5881 0.2280 C.ar 1 UNK -0.0578 24 C12 -7.5122 -0.2551 -1.2692 C.ar 1 UNK -0.0615 25 C13 -7.1066 2.0217 -0.5702 C.ar 1 UNK -0.0615 26 C14 -7.8386 1.1001 -1.3188 C.ar 1 UNK -0.0617 27 H -0.1893 1.0134 1.5751 H 1 UNK 0.2983 28 H1 7.6913 0.0486 0.3602 H 1 UNK 0.1442 29 H2 6.3846 -0.8826 0.8074 H 1 UNK 0.1442 30 H3 3.9264 -1.4715 -0.8674 H 1 UNK 0.0659 31 H4 1.8180 2.3216 1.3132 H 1 UNK 0.0674 32 H5 -2.2688 -1.7987 1.8734 H 1 UNK 0.0501 33 H6 -1.9833 -0.1694 2.3927 H 1 UNK 0.0501 34 H7 -4.5036 0.4222 1.9745 H 1 UNK 0.0425 35 H8 -4.7971 -1.2350 1.4359 H 1 UNK 0.0425 36 H9 -6.2092 -1.6906 -0.4316 H 1 UNK 0.0621 37 H10 -5.5043 2.2670 0.7833 H 1 UNK 0.0621 38 H11 -8.0538 -0.9369 -1.8230 H 1 UNK 0.0618 39 H12 -7.3482 3.0244 -0.6069 H 1 UNK 0.0618 40 H13 -8.6217 1.4209 -1.9094 H 1 UNK 0.0618 @BOND 1 1 18 1 2 2 5 2 3 2 6 2 4 2 10 1 5 2 12 1 6 3 7 2 7 3 8 2 8 3 11 1 9 3 15 1 10 4 19 1 11 4 20 1 12 9 13 1 13 9 16 1 14 10 16 2 15 12 13 ar 16 12 14 ar 17 13 17 ar 18 14 15 ar 19 15 18 ar 20 16 19 1 21 17 18 ar 22 20 21 1 23 21 22 ar 24 21 23 ar 25 22 24 ar 26 23 25 ar 27 24 26 ar 28 25 26 ar 29 9 27 1 30 11 28 1 31 11 29 1 32 14 30 1 33 17 31 1 34 19 32 1 35 19 33 1 36 20 34 1 37 20 35 1 38 22 36 1 39 23 37 1 40 24 38 1 41 25 39 1 42 26 40 1