BO53DT -OEChem-04012117392D 45 48 0 0 0 0 0 0 0999 V2000 5.4641 -3.1756 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 0.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5190 2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.1756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.9803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 -0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5225 0.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 3.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9796 -0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 0.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 1.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0611 -0.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9366 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9840 0.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3126 3.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4371 3.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3897 2.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 2 25 1 0 0 0 0 3 19 1 0 0 0 0 3 26 1 0 0 0 0 4 20 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 22 2 0 0 0 0 17 21 2 0 0 0 0 17 31 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$