B7JIA6 -OEChem-04012117272D 60 63 0 1 0 0 0 0 0999 V2000 5.0604 0.9746 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0932 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2373 1.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5945 0.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 -0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2514 -0.4267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6375 -0.2152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2211 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6375 -1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6913 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6913 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9481 0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8252 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8252 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9592 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9592 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2272 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2000 0.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6820 -1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6820 -0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3864 -2.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1749 -2.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9276 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3343 0.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8252 0.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8252 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4223 -0.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6257 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8286 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9626 -2.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7597 -2.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8440 2.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8936 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0966 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 0.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 -1.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2491 0.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 1.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0091 0.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8301 1.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 1.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 32 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 19 1 0 0 0 0 3 48 1 0 0 0 0 4 19 2 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 33 1 0 0 0 0 8 29 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 6 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 19 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 2 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 M END $$$$