D00096 -OEChem-05072121453D 29 29 0 1 0 0 0 0 0999 V2000 -3.5125 0.2892 1.7967 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9991 1.5602 0.2378 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 1.9486 0.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 0.7789 -1.4659 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 -0.4047 0.1328 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4263 0.1139 0.7629 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2349 -1.1252 1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -2.1470 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -1.8319 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 0.3558 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -0.3862 -0.5226 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1306 0.9563 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4278 0.2636 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0798 -0.3717 -2.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 0.7257 1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 -1.4843 2.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3163 -0.9591 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3832 -1.9843 -0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 -3.1798 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0233 -2.0789 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 -2.3764 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 -1.4257 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 1.2963 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2986 -0.2878 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 -0.7792 -2.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 -0.9580 -2.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1664 0.6504 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 2.5110 -0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4669 -1.0396 1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 29 1 0 0 0 0 2 10 2 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 M END $$$$