B4LTU8 -OEChem-04022105222D 47 50 0 1 0 0 0 0 0999 V2000 8.0321 1.0555 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8204 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2437 0.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -1.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -0.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 0.8439 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5274 1.9681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -0.1468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7123 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0094 1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -0.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 2.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6587 0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2921 2.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7527 -2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9414 1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3395 -0.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 -0.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9387 -0.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 1.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 2.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -0.9429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 2.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -0.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4921 -0.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8981 2.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0754 0.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4814 3.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2903 -3.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1658 -3.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2150 -2.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0727 1.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5474 2.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8102 2.5082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 4 15 1 0 0 0 0 4 26 1 0 0 0 0 5 15 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 6 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$