LCEW92 -OEChem-05032301042D 41 45 0 0 0 0 0 0 0999 V2000 2.6691 -0.1824 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 3.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.7757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.2757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.2243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -1.5804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 3.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7483 1.9301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4376 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9155 2.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 -3.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -2.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 -3.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 -4.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 -4.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -3.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -1.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3306 -0.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 1.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 3.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 0.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6276 4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 2.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 27 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 33 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 14 1 0 0 0 0 5 15 2 0 0 0 0 6 19 2 0 0 0 0 7 23 1 0 0 0 0 7 27 1 0 0 0 0 7 40 1 0 0 0 0 8 25 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 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 26 27 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$