BB4D1Z -OEChem-04012113163D 36 38 0 0 0 0 0 0 0999 V2000 -3.0692 3.6548 -0.4526 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1362 2.8708 -1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 -2.0409 -0.2419 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 -0.9740 -0.0395 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -3.3398 -0.4761 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 2.7029 -0.6289 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8371 1.4755 -0.2136 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1817 -0.9648 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4384 -1.1751 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7945 0.3201 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -0.1007 0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6641 1.3946 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 1.1842 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8786 -2.5407 0.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 -2.1220 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1361 -1.0880 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 0.1404 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8021 -2.2769 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 -3.3812 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3223 1.1513 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1083 0.3503 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 2.3237 1.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 2.4355 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8416 0.4859 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 -2.9546 -0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2909 -0.2473 1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6244 1.9972 0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 -3.1899 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8444 -2.5156 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1573 -2.9854 1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -2.3835 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -4.3605 -0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 1.0515 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5913 -0.3744 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 3.1241 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 3.3296 0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 2 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 4 15 1 0 0 0 0 4 16 2 0 0 0 0 5 15 2 0 0 0 0 5 19 1 0 0 0 0 6 12 1 0 0 0 0 7 21 1 0 0 0 0 7 23 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$