LLBR98 -OEChem-05032301282D 41 43 0 1 0 0 0 0 0999 V2000 4.5981 2.2640 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2640 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -1.2360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.5407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 -0.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5741 0.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 0.8322 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 8 1 1 1 0 0 0 1 14 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 5 20 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 37 1 0 0 0 0 7 17 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$