B6IPT8 -OEChem-04012113113D 40 42 0 0 0 0 0 0 0999 V2000 -5.3034 3.1895 -0.5050 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6672 -1.7795 0.6046 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6976 -0.2039 1.9444 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 -1.8679 -2.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 -1.9528 2.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1509 -2.8664 -0.2347 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8908 -0.2973 -0.0603 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 -1.2226 0.0253 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1099 0.3744 0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3114 -0.5645 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 1.6482 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 0.1424 0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 2.3518 -0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 1.4131 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 -0.7836 -1.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8118 -0.5280 0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 -1.3566 -1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6974 -0.3746 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -0.2775 -0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8244 0.5977 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1631 0.8304 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 1.7056 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 1.8220 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 0.6624 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -0.9481 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -1.4380 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4609 2.3336 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3143 1.4218 -1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4624 -0.5362 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 0.3953 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5596 2.7329 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7485 3.2192 -0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7187 1.9294 0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 1.1464 -1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4157 -1.5748 -1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7131 0.0314 -2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -1.0350 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3059 0.5286 2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6772 0.9088 -2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 2.4715 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$