BRK9M8 -OEChem-04012113422D 46 49 0 1 0 0 0 0 0999 V2000 8.0321 0.7806 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8204 1.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2437 -0.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -0.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9414 1.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 0.5690 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5274 1.6932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -2.1173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -0.4217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7123 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 1.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -1.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0094 0.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 1.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6587 0.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2921 2.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2468 2.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3395 -0.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 -0.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9387 -1.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 1.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 1.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -1.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 1.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4995 -2.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4795 -2.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4921 -0.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8981 2.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0754 0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4814 2.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8372 2.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4361 3.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6564 2.7689 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 17 1 0 0 0 0 4 16 2 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 0 0 0 0 8 16 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 19 2 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$