D0QC9F -OEChem-10191521502D 43 47 0 0 0 0 0 0 0999 V2000 9.1087 2.2016 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9863 2.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 -1.0694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5814 1.0774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 1.8461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6342 -1.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8308 -2.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5816 -2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2937 -0.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6087 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6087 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 -0.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2843 1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9032 0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 2.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 2.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9778 -1.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2533 -3.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1532 -3.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0657 -2.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8790 -1.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3658 -1.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7273 -0.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1221 -0.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2420 1.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4902 -0.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 2.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1213 -0.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 3.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 0.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 1.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 0.7244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 0.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 18 2 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 32 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 14 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$