BH3E9F -OEChem-04022115093D 51 55 0 0 0 0 0 0 0999 V2000 -2.7128 3.2387 0.6632 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4705 -1.8172 -0.3753 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3973 -3.6723 -0.7921 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3579 -1.2267 0.6169 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5065 -3.2533 -0.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 -0.1661 1.1475 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 -1.8822 0.0116 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8489 -0.2560 0.9491 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1853 2.7254 0.6622 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6018 -4.8363 -1.6168 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -1.0082 -1.8638 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 -0.9047 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5471 1.0546 1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -0.7901 0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0252 -1.9701 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9476 -0.7371 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 2.2986 1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8797 -2.9356 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2612 -2.7878 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7835 -1.7072 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -0.6327 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6808 4.3322 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3588 3.8910 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 0.1575 1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 -1.7869 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -1.3608 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 -0.2066 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -2.1511 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1642 -3.7759 -0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 5.4966 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 4.6437 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 6.2229 -1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 5.8039 -1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4991 1.0829 2.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7764 0.9993 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 0.0994 1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 0.6124 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4117 -3.7460 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 -1.5940 0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0955 1.0604 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 -2.4281 -0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3969 0.4270 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9348 -3.0504 -1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0472 5.8297 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 4.3251 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 7.1272 -2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 6.3817 -1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 -4.9958 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2114 -5.5352 -2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7366 -1.5807 -2.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3198 -0.1953 -1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 29 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 8 37 1 0 0 0 0 9 17 2 0 0 0 0 9 23 1 0 0 0 0 10 29 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 18 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 30 2 0 0 0 0 23 31 2 0 0 0 0 24 27 1 0 0 0 0 24 40 1 0 0 0 0 25 28 2 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 30 32 1 0 0 0 0 30 44 1 0 0 0 0 31 33 1 0 0 0 0 31 45 1 0 0 0 0 32 33 2 0 0 0 0 32 46 1 0 0 0 0 33 47 1 0 0 0 0 M END $$$$