D0U2EG -OEChem-09301911182D 54 57 0 1 0 0 0 0 0999 V2000 3.5443 -2.1354 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8141 2.8811 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4610 1.6235 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5565 2.2342 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -2.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7985 -1.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9160 -0.8136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9434 -0.3990 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4160 0.7252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 0.7649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5927 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2404 0.3697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2250 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5384 1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6010 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6215 -1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9160 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5141 1.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9207 -0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2105 -1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8886 -0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2034 0.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -2.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5700 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8754 0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5087 1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8456 0.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9335 1.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0710 -1.9201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8273 -2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6399 -2.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2352 -1.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 2.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4406 2.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4048 1.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 0.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1190 1.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3782 2.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4294 -2.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4068 0.9615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -0.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 -0.8069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 -2.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4649 -3.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3403 -3.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9867 -1.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4813 0.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 1 29 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 7 27 1 0 0 0 0 7 54 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 10 14 2 0 0 0 0 10 19 1 0 0 0 0 11 22 1 0 0 0 0 11 28 2 0 0 0 0 12 22 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 1 0 0 0 13 33 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$