BOHA86 -OEChem-04012113472D 50 53 0 0 0 0 0 0 0999 V2000 3.1235 3.2093 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -2.3295 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0833 -5.8122 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 3.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1235 3.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -4.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 4.2093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9325 -1.3785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2113 -3.1386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 4.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 4.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 5.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 6.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 6.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 2.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 0.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 0.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 0.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 -1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 -2.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 -4.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 -4.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 -4.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7013 -5.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -6.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 4.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 4.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 4.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 4.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 6.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 5.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 5.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 6.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 7.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0649 6.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 6.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 7.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 2.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5264 2.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 0.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5264 0.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 -1.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8279 -3.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7568 -4.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 -6.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -7.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 6 25 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 22 1 0 0 0 0 8 24 2 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 47 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 46 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$