B8CJE0 -OEChem-04022105503D 29 31 0 0 0 0 0 0 0999 V2000 -3.5726 -1.3827 -0.1409 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8641 0.6165 0.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0179 1.8938 0.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7961 1.3050 0.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 -0.9633 0.5942 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0505 -0.6559 0.6517 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 1.2784 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9153 -0.0860 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 -0.4088 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7666 1.1591 -0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8434 0.2971 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4837 0.6054 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2561 -1.0174 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -1.7258 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 -2.0326 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6596 0.3786 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4639 -0.3203 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1417 1.0590 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 1.7010 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3901 1.9377 0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1944 2.1532 -1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7378 0.6309 -1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 1.6321 0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 -2.5293 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 -3.0626 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4831 2.2350 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4424 -0.6109 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5676 -0.2312 -1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 -1.2867 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 16 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$