L6EWS7 -OEChem-05022321312D 44 47 0 0 0 0 0 0 0999 V2000 2.3899 0.5865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7121 -0.4146 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0032 -1.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4211 0.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5037 -0.9089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0037 1.2818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1572 -1.1952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8853 -1.5788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3867 0.1197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6689 -0.1235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4047 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0037 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5037 -1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 2.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1549 -0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8420 -1.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7554 -0.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5725 -1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0683 -0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 -0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 -1.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5037 -2.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 -1.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7487 1.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9962 1.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 2.7413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 2.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -0.4659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 -2.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4322 -2.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6155 0.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 -2.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1653 0.5813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1217 -0.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8091 0.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 11 1 0 0 0 0 2 24 1 0 0 0 0 3 16 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 8 12 2 0 0 0 0 8 21 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 38 1 0 0 0 0 10 19 1 0 0 0 0 10 21 2 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 15 16 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$