D87IQS -OEChem-01102402203D 37 39 0 1 0 0 0 0 0999 V2000 4.2377 2.2703 2.2545 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 -3.0392 1.5525 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0037 0.2875 0.8072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1489 -0.8744 -0.1559 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2955 1.8070 -1.1006 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 -1.1700 1.0313 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0516 -2.0873 -1.1268 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2243 -1.2193 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2399 -0.3538 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5609 -0.3049 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7334 0.2732 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 -1.1111 -1.4821 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0138 0.6650 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 -1.6361 0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 0.4086 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2192 1.2145 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 0.5061 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 -0.0416 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -0.2338 -2.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 2.1514 -1.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7734 1.2195 1.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0944 1.2683 1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4396 -2.2685 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2663 -1.1005 -1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 -1.7121 -1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 0.3966 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2438 1.2254 -2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5212 0.5471 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 2.3183 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 -1.7243 1.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 0.3229 -2.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7536 0.4935 -2.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7535 -0.8462 -3.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 3.0305 -2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 1.8046 2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 -2.6142 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 -2.7676 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 14 2 0 0 0 0 3 18 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 5 29 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 6 30 1 0 0 0 0 7 12 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 19 1 0 0 0 0 12 25 1 0 0 0 0 13 18 1 0 0 0 0 15 21 2 0 0 0 0 15 26 1 0 0 0 0 16 20 2 0 0 0 0 16 27 1 0 0 0 0 17 22 2 0 0 0 0 17 28 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$