LE1SM5 -OEChem-05022322213D 31 32 0 0 0 0 0 0 0999 V2000 -4.6292 0.6542 -0.0712 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -1.8831 -0.6628 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4496 -0.3047 -0.7976 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0585 1.1282 1.2371 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 -1.6981 1.5688 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3402 2.0054 -1.0762 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6687 0.2655 0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6798 0.6685 -0.9319 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 -0.0007 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4449 -1.0518 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 0.4213 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -0.9482 -0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 -0.1044 1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 -1.4737 -0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8959 -1.6005 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -2.0529 -0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 -0.1240 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7658 1.5970 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 1.9875 -0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8715 2.5144 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5178 1.1634 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1919 -1.2891 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2648 0.2416 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9547 -2.2208 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3196 -1.4831 -1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4164 -3.1091 -0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6804 1.9608 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4122 2.9386 -0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6107 1.9168 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 2.6307 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9737 3.5772 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 5 15 2 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 17 1 0 0 0 0 7 18 2 0 0 0 0 8 17 2 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$