@MOLECULE FDBD00393 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -4.7772 1.7921 0.7310 Cl 1 UNK -0.0815 2 S -4.4850 -1.2855 -0.2154 S.O2 1 UNK 0.0574 3 O 0.7238 -1.7093 -0.6592 O.2 1 UNK -0.2695 4 O1 -5.6289 -0.4202 -0.4879 O.2 1 UNK -0.1532 5 O2 -4.0731 -2.2921 -1.1877 O.2 1 UNK -0.1532 6 N 1.7379 0.3733 -0.2363 N.am 1 UNK -0.2485 7 N1 0.2858 2.2204 0.3224 N.pl3 1 UNK -0.3250 8 N2 -4.7755 -2.0739 1.2846 N.3 1 UNK -0.2035 9 C 1.5082 1.8271 -0.3578 C.3 1 UNK 0.0921 10 C1 -0.8286 1.4068 0.2088 C.ar 1 UNK 0.0422 11 C2 -0.7035 0.0683 -0.1797 C.ar 1 UNK 0.0600 12 C3 0.6502 -0.5134 -0.3866 C.2 1 UNK 0.2541 13 C4 3.0940 -0.1162 -0.1002 C.ar 1 UNK 0.0413 14 C5 1.4393 2.2768 -1.8212 C.3 1 UNK -0.0294 15 C6 -1.8383 -0.7441 -0.3085 C.ar 1 UNK -0.0200 16 C7 -2.1050 1.9077 0.4992 C.ar 1 UNK -0.0198 17 C8 -3.1026 -0.2233 -0.0376 C.ar 1 UNK 0.1241 18 C9 3.6252 -0.3942 1.1560 C.ar 1 UNK -0.0290 19 C10 -3.2360 1.1002 0.3719 C.ar 1 UNK 0.0690 20 C11 3.8601 -0.3049 -1.2469 C.ar 1 UNK -0.0399 21 C12 4.9336 -0.8646 1.2665 C.ar 1 UNK -0.0571 22 C13 2.8216 -0.1997 2.4007 C.3 1 UNK -0.0379 23 C14 5.1684 -0.7757 -1.1364 C.ar 1 UNK -0.0600 24 C15 5.7054 -1.0554 0.1203 C.ar 1 UNK -0.0614 25 H 0.2508 3.0487 0.8533 H 1 UNK 0.1479 26 H1 -5.5791 -2.6953 1.1921 H 1 UNK 0.1442 27 H2 -4.9662 -1.3764 2.0040 H 1 UNK 0.1442 28 H3 2.3444 2.3081 0.1052 H 1 UNK 0.0709 29 H4 0.6073 1.8047 -2.3006 H 1 UNK 0.0264 30 H5 2.3435 2.0005 -2.3222 H 1 UNK 0.0264 31 H6 1.3189 3.3392 -1.8626 H 1 UNK 0.0264 32 H7 -1.7379 -1.7278 -0.6039 H 1 UNK 0.0646 33 H8 -2.2097 2.8859 0.8110 H 1 UNK 0.0651 34 H9 3.4614 -0.0971 -2.1758 H 1 UNK 0.0636 35 H10 5.3307 -1.0715 2.1963 H 1 UNK 0.0621 36 H11 1.8482 0.1628 2.1438 H 1 UNK 0.0278 37 H12 3.3111 0.5105 3.0339 H 1 UNK 0.0278 38 H13 2.7301 -1.1331 2.9157 H 1 UNK 0.0278 39 H14 5.7392 -0.9171 -1.9845 H 1 UNK 0.0618 40 H15 6.6735 -1.4034 0.2020 H 1 UNK 0.0618 @BOND 1 1 19 1 2 2 4 2 3 2 5 2 4 2 8 1 5 2 17 1 6 3 12 2 7 6 9 1 8 6 12 am 9 6 13 1 10 7 9 1 11 7 10 1 12 9 14 1 13 10 11 ar 14 10 16 ar 15 11 12 1 16 11 15 ar 17 13 18 ar 18 13 20 ar 19 15 17 ar 20 16 19 ar 21 17 19 ar 22 18 21 ar 23 18 22 1 24 20 23 ar 25 21 24 ar 26 23 24 ar 27 7 25 1 28 8 26 1 29 8 27 1 30 9 28 1 31 14 29 1 32 14 30 1 33 14 31 1 34 15 32 1 35 16 33 1 36 20 34 1 37 21 35 1 38 22 36 1 39 22 37 1 40 22 38 1 41 23 39 1 42 24 40 1