B3LFU7 -OEChem-04022117223D 58 60 0 1 0 0 0 0 0999 V2000 4.9648 -1.2001 -0.0330 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1228 -3.9003 -0.0895 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 2.6346 1.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9121 0.8459 -1.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 -0.6771 -1.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6345 -1.7459 -0.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0069 -2.0292 0.5451 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 -3.3374 -1.5027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 -5.2628 0.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 -2.9142 0.9351 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.9741 0.9664 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 2.7455 -2.4462 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 0.2418 0.9159 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 -3.9634 -0.3286 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 2.8641 -0.1879 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3018 3.6009 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 1.0637 1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 2.7012 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2976 1.5074 0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4202 1.8879 1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2488 2.0262 -1.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 0.6975 1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7595 3.0809 -0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5658 0.8044 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6847 1.0755 0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 2.2685 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -0.1566 2.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 -0.8557 0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 2.1763 -3.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 -2.0722 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8993 -0.2851 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5356 -2.7180 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 -0.9309 -1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9952 -2.1473 -1.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 3.6170 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4396 4.1007 -1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 4.3768 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.9950 2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 0.0739 0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 -0.2269 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9094 4.0128 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 0.2178 2.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 1.2989 3.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8461 2.5772 -0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6406 0.3754 2.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 -0.9049 3.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 3.7248 -2.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6868 0.7681 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8151 1.1290 -3.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5884 2.7583 -4.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 2.2569 -3.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4091 -2.5191 1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4404 0.6569 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0346 -0.4863 -2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8259 -2.6403 -2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 -4.5722 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9038 -0.0347 -1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1509 -2.4399 -1.7637 H 0 0 0 0 0 0 0 0 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 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 14 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 57 1 0 0 0 0 8 58 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 29 1 0 0 0 0 12 47 1 0 0 0 0 13 25 1 0 0 0 0 13 48 1 0 0 0 0 14 32 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 22 25 2 0 0 0 0 22 40 1 0 0 0 0 23 26 2 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 30 2 0 0 0 0 28 31 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 32 1 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 M END $$$$