B4JAZ3 -OEChem-04022101443D 40 42 0 0 0 0 0 0 0999 V2000 0.4059 0.0526 -2.0806 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6115 -1.2915 -2.5945 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 1.1517 -3.0043 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1723 -0.3510 1.6371 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -3.6528 0.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 -2.9080 0.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7029 0.4561 -1.0478 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 0.0164 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 1.1741 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5733 1.0590 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 -1.2369 -0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -0.2103 0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 -1.3500 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -0.4207 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 2.4435 -0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0972 2.2166 1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 -0.3348 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4704 3.5830 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5483 3.4699 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -2.6710 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4237 -1.1913 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 0.6013 1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 -1.1116 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2806 0.6812 1.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2028 -0.1753 1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1007 -2.1285 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 1.4473 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7954 -1.4623 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4349 -0.1372 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 2.6175 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9256 2.1866 1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 4.5585 -0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 4.3571 1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 -1.9235 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 1.2756 1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7443 0.4311 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4925 -1.7781 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 1.4106 2.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2544 -0.1129 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5749 -4.5386 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 4 12 1 0 0 0 0 4 36 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 20 2 0 0 0 0 7 14 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$