LDCS37 -OEChem-05022322593D 40 41 0 0 0 0 0 0 0999 V2000 -6.3321 -0.2318 0.0673 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -1.8798 0.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5541 -1.5501 0.6446 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0108 0.9275 0.6297 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2566 -0.2424 -0.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 0.8383 0.0312 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 1.0793 -0.0115 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6617 -0.3008 -1.6079 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 0.4019 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -0.1988 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9315 -0.6792 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3893 -1.0254 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 0.5870 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4614 -0.1676 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 1.1122 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 0.0831 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 -0.7272 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 1.6491 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7107 -0.9790 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 1.3972 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -2.5026 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5831 2.4091 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 1.0275 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0284 1.0293 0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 -0.8398 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 -0.8280 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 1.8071 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 -0.4350 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 -1.5835 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4245 2.6781 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0532 -2.0100 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 2.2395 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 -2.8988 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -2.8981 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.8914 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3108 2.9850 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3219 2.9992 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 2.2774 -0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8826 -1.2187 -2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1932 0.4748 -2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 11 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 15 2 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 22 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$