BKD92M -OEChem-04042101343D 36 37 0 0 0 0 0 0 0999 V2000 -4.7537 2.4439 -0.0871 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 0.5824 0.4305 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 0.4403 1.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 1.8358 -0.2785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4242 0.9127 -1.4936 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 -0.2657 0.4144 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7411 -0.6706 -0.4462 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9327 0.0655 -0.1643 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6212 -1.8371 -1.3851 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 0.3337 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -0.0638 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 0.8957 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 -0.4269 1.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2664 0.6969 -0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 -0.6256 1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0581 -0.1886 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6779 0.2116 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 0.7468 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3504 -1.5522 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3804 0.3189 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6577 -1.9802 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6728 -1.0447 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 -0.8289 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 1.4845 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 -0.8799 2.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 1.1618 -1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 -1.2218 2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 -0.8305 1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -2.2961 -0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1829 1.0350 0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8858 -3.0418 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6907 -1.3781 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9251 -0.0568 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6697 0.8722 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6277 -1.8756 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 -2.5721 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 5 17 2 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 28 1 0 0 0 0 7 23 2 0 0 0 0 8 23 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 23 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M END $$$$