BVD3H6 -OEChem-04012113063D 43 44 0 1 0 0 0 0 0999 V2000 2.9566 1.7747 0.1822 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 2.1798 -1.1499 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1227 2.6803 1.3028 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 -3.0003 -0.1869 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4915 -1.7266 1.6903 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 0.2877 0.5663 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0499 -1.0239 -0.2114 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8894 -1.3733 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 -0.8706 -0.3424 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8097 -1.7264 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5809 -0.3201 -1.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2445 1.3390 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7844 -1.8856 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6957 0.9202 -1.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4835 1.4246 1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 0.6567 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 0.5764 -1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8675 1.0809 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8383 0.3006 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5622 0.4825 -1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4652 -0.2243 1.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9133 0.1392 -1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8164 -0.5676 1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5404 -0.3859 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9243 -0.7377 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.2784 -1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8935 -0.6241 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0088 0.1045 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 -2.4867 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0566 -0.8534 0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7547 -2.1375 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 -0.7193 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8305 0.5834 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -0.0332 -2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 0.8529 -1.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9086 1.7505 2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 0.2243 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 1.1867 2.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9593 -3.6457 0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1248 0.9163 -2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -0.4123 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4664 0.2927 -2.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -0.9821 1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 4 39 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 7 25 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 9 27 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 2 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 M END $$$$