BE98IS -OEChem-04012117352D 43 44 0 1 0 0 0 0 0999 V2000 7.9244 0.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -1.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.7272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 2.0902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8994 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.8840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 3.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5061 2.7561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9813 1.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 1.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7994 3.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4027 4.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 3.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 3.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 2.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0488 1.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 2.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 1.6287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 18 1 0 0 0 0 2 43 1 0 0 0 0 3 18 2 0 0 0 0 7 4 1 6 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 36 1 0 0 0 0 9 6 1 6 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 14 20 2 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$