BHS4I3 -OEChem-04012116202D 47 52 0 1 0 0 0 0 0999 V2000 3.0998 -1.6619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5509 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -3.6508 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3595 0.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7599 -0.2308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 -1.0393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 3.0287 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4404 3.0287 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6340 2.4407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7358 3.7261 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1314 2.0777 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7494 2.0777 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9273 1.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7258 3.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2452 2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3539 0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5774 -1.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9889 -2.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 -3.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 -2.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9777 -2.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3892 -3.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 0.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2483 3.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9682 3.3540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2379 2.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3643 4.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5557 2.3078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2102 1.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5317 1.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3002 4.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 4.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 0.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 0.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7238 2.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7127 3.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3764 -0.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 -0.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -4.1769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5943 -3.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6409 -4.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 42 1 0 0 0 0 6 20 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$