L9DBZ7 -OEChem-05022322432D 42 44 0 0 0 0 0 0 0999 V2000 4.7690 2.9244 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8822 0.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 1.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 2.9244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9312 1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7233 2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6254 1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5764 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -1.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -1.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -2.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -2.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7762 0.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6433 2.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3169 -0.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 2.4393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9164 1.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1368 1.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3848 0.5078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1661 0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7680 1.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 36 1 0 0 0 0 3 13 1 0 0 0 0 3 37 1 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 25 1 0 0 0 0 10 14 2 0 0 0 0 11 17 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$