B5KY9W -OEChem-04012113012D 47 48 0 1 0 0 0 0 0999 V2000 6.3301 -0.8240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 -1.3196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6760 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9101 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6760 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 0.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -1.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3214 -2.4538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9089 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5384 0.4227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -0.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 -1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9075 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0941 -3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -1.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2908 -2.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4956 -3.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 -4.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6927 -3.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1505 0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3174 1.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 28 1 0 0 0 0 2 30 1 0 0 0 0 4 18 2 0 0 0 0 5 22 1 0 0 0 0 5 27 1 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 8 24 2 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 27 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 17 12 1 1 0 0 0 12 24 1 0 0 0 0 12 36 1 0 0 0 0 13 25 2 0 0 0 0 14 26 1 0 0 0 0 14 30 2 0 0 0 0 15 30 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 6 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 28 39 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 M CHG 2 3 1 6 -1 M END $$$$