B1M6FY -OEChem-04012112583D 39 41 0 0 0 0 0 0 0999 V2000 -3.3685 1.5447 0.4415 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1307 0.8187 -0.3419 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 2.3637 -0.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6726 1.9419 1.8027 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4107 -3.2162 -0.0003 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0529 -1.8494 -1.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0484 -2.0609 -0.3219 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3264 0.6663 2.4127 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 0.6523 -1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 0.3622 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1931 1.0793 -1.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0413 -0.0755 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 1.2480 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 1.3100 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 0.8002 -2.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7603 1.0789 -2.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7946 -0.9482 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1955 1.4285 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 -0.8902 1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3709 -0.4969 -1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9014 -1.1918 0.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 1.1847 1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -0.1254 1.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7543 -2.1681 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 -1.7748 -1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0926 -2.6103 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 0.9282 1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8117 1.5367 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 0.7195 -3.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2553 1.2559 -3.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 2.4565 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9609 -0.5676 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 0.1359 -1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2109 -2.1967 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 2.0150 1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -0.3145 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9019 -2.8195 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 -2.1200 -2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5044 -3.6056 -0.2779 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 12 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 7 17 1 0 0 0 0 8 27 3 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 17 1 0 0 0 0 10 18 2 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 24 1 0 0 0 0 19 32 1 0 0 0 0 20 25 2 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M CHG 2 5 -1 7 1 M END $$$$