D0J3DB -OEChem-10101305022D 42 45 0 0 0 0 0 0 0999 V2000 8.1962 0.6808 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 1.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -2.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6995 -0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6928 1.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0564 2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7884 2.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9205 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 2.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -1.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9306 0.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5183 2.4920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3304 0.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9181 3.3074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 1.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 -2.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9646 2.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1883 3.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3405 3.2299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 38 1 0 0 0 0 3 13 1 0 0 0 0 3 39 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 13 1 0 0 0 0 8 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 15 1 0 0 0 0 11 18 2 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 23 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 24 2 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 37 1 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$