B8M9RI -OEChem-04022106393D 41 42 0 0 0 0 0 0 0999 V2000 0.5637 2.1575 -0.0429 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 2.2981 0.4007 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 2.3473 -1.4425 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0345 0.6192 0.4703 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4088 3.2123 0.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 0.3428 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8134 -0.5642 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -0.5832 1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6438 -0.2844 -1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 -0.8129 1.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5999 -0.3148 -1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 -0.9955 1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0919 -0.6968 -1.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7239 -1.9499 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 -1.4521 -1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 -1.6163 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5061 -1.7072 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 1.2711 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 -1.4919 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 -0.0762 2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -1.4935 1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 -1.1892 -1.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 0.4242 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 0.0887 1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 -1.0557 2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 -0.2034 -1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 0.5698 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -1.7083 1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -0.1164 1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7215 0.2001 -1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 -1.1996 -2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -2.0590 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1718 -2.8944 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -2.3666 -1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 -1.2167 -2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6739 -1.8355 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -2.5729 -0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 -2.5721 -0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 -0.8447 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 3.3398 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2496 3.2403 1.9013 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 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 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 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 M END $$$$