BRIG72 -OEChem-04012114293D 40 43 0 0 0 0 0 0 0999 V2000 1.6261 -3.5115 -0.4952 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 1.8672 1.7999 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 -1.0608 -1.7616 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -0.5004 -0.5423 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0265 -0.8620 -1.8139 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 -0.8695 1.6925 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -2.3610 1.6844 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 -0.3795 0.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2261 1.6921 -0.7547 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4184 -1.0474 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5374 -1.8231 -0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3445 0.3526 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -2.4955 0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9643 -1.6672 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 1.1989 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4676 0.3466 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2057 -2.7197 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4225 -1.5676 2.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 2.0528 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5328 1.2005 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4662 2.0537 0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -1.2925 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3622 1.0121 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 3.0337 -0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 3.3247 0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1712 4.0228 -1.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -2.1024 -2.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3922 1.2813 1.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5536 -0.3140 -1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 -3.2516 -0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -2.7819 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3504 -1.4811 3.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2781 2.7269 1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 1.2001 -1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2945 2.7204 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -0.7175 1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 4.2901 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0993 4.0716 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 3.7450 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 5.0236 -1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 22 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 14 2 0 0 0 0 6 10 1 0 0 0 0 6 18 2 0 0 0 0 7 13 2 0 0 0 0 7 18 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 36 1 0 0 0 0 9 23 2 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 2 0 0 0 0 16 29 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$