D00248 -OEChem-05072121472D 44 46 0 1 0 0 0 0 0999 V2000 3.7320 -1.4701 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4634 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.2461 2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.9667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2287 -2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -0.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9892 1.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9892 0.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1232 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2572 0.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1232 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9354 -0.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2572 1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9354 1.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5190 0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9892 2.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3472 -0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1392 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 -1.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3391 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 -2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4724 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -0.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5217 2.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7247 2.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9933 0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6844 -0.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4728 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0451 1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6466 0.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9799 0.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9799 0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 2.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9892 2.6989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3692 2.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6797 -1.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8439 -2.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 -2.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 0.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4061 -2.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9391 -0.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 3 15 2 0 0 0 0 4 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 1 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 6 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 11 29 1 6 0 0 0 12 19 2 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 2 2 1 5 -1 M END $$$$