B52FUM -OEChem-04012118132D 55 55 0 1 0 0 0 0 0999 V2000 10.1962 5.6160 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.6962 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 5.6160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 3.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 2.3840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3840 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 3.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 3.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 3.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 1.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 2.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 5.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1135 4.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0762 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 2 1 1 0 0 0 2 39 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 4 50 1 0 0 0 0 5 15 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 6 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$