BGSQ50 -OEChem-04022107003D 40 42 0 0 0 0 0 0 0999 V2000 1.4635 1.5657 0.7276 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1199 3.2266 -0.8126 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -0.8935 1.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 0.7712 1.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 2.5280 1.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -0.3290 -0.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 0.5192 -0.5367 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9158 0.4397 -0.0915 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1373 -1.8657 1.2823 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1606 2.5084 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9923 -0.5058 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 1.9997 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8621 -1.2012 -0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 3.9242 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 -2.0329 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5284 0.6041 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9512 4.4436 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0387 -1.1030 -2.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6131 -3.0076 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6473 -0.7462 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9973 -1.9747 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0283 -0.7034 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 -3.1605 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7592 -1.8893 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1092 -3.1177 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 0.9405 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0733 4.5470 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1778 5.4795 -0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0711 -1.1270 -2.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5412 -0.1661 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 -1.9284 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4626 1.2922 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2289 -3.8157 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -3.4591 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4429 -2.5257 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9347 -2.0982 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 0.2467 0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 -4.1179 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8345 -1.8563 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6784 -4.0409 0.1842 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 10 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 6 16 2 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 32 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$