B53SRT -OEChem-04022106203D 45 48 0 0 0 0 0 0 0999 V2000 5.4663 1.5069 -0.3994 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4467 0.9704 0.9352 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 2.8178 0.1053 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8402 1.1379 -1.7593 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 -0.5516 -1.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4436 1.0423 0.1449 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0465 0.3151 0.7014 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0716 1.1304 0.8153 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 -1.4537 1.6057 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8590 -1.7047 -0.5221 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7332 1.3706 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 1.1529 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0242 0.4922 -1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 2.1403 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6396 0.3834 -0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 2.0314 0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7138 0.3126 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8746 0.0672 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 0.2258 -0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2912 -0.2048 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 -0.3823 -0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 -1.0207 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8279 -1.1189 -0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1246 0.4463 0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1978 -1.3818 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4945 0.1833 0.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0310 -0.7307 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 -2.7101 1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3532 -2.9532 -0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 -3.5143 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 -0.1171 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5895 2.8254 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 -0.3188 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1582 2.6355 1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.6369 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 0.6301 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8168 -1.1026 -1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2039 -1.6414 -1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7437 1.1647 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6160 -2.0933 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1438 0.6900 1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0976 -0.9353 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6627 -3.0642 2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 -3.5088 -1.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 -4.5185 0.2934 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 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 5 19 2 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 6 35 1 0 0 0 0 7 22 1 0 0 0 0 7 36 1 0 0 0 0 8 17 2 0 0 0 0 9 22 1 0 0 0 0 9 28 2 0 0 0 0 10 22 2 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 30 2 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 M END $$$$