BP9BA1 -OEChem-04022103032D 49 52 0 1 0 0 0 0 0999 V2000 4.6783 -5.4223 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -2.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0110 5.6175 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3628 5.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 1.0692 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2566 -1.4993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 4.8756 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5673 -0.5488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5189 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9809 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5206 0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2627 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9331 2.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9775 3.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6257 3.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 3.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9547 -0.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6467 -0.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1356 -0.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 0.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5194 -0.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1371 0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6505 1.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -1.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 -1.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -1.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -3.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 1.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5393 2.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3713 3.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0414 4.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 17 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 8 6 1 6 0 0 0 6 13 1 0 0 0 0 6 36 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 16 19 2 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$