B94JGS -OEChem-04022100392D 61 64 0 1 0 0 0 0 0999 V2000 11.2458 -3.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5369 2.5067 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 2.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 2.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8574 -0.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 1.5067 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.1254 -0.0033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 1.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 0.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9895 -0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 3.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 -1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 3.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1177 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8497 -2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1138 -3.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8458 -3.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9779 -3.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3996 1.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6655 1.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8684 1.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7832 0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1790 -0.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7394 0.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3435 1.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8571 -0.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6541 -0.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2648 0.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0618 0.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1608 3.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 4.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 3.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 0.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 2.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 3.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 -1.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3878 -1.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3816 -3.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9755 -4.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 5 16 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 34 1 0 0 0 0 8 59 1 0 0 0 0 8 60 1 0 0 0 0 9 34 2 0 0 0 0 9 61 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 21 24 2 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 51 1 0 0 0 0 25 30 1 0 0 0 0 25 52 1 0 0 0 0 26 31 2 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 27 54 1 0 0 0 0 28 32 2 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 34 1 0 0 0 0 30 33 2 0 0 0 0 31 33 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$