IBS-ZINC05425144 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 0.0110 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -0.7620 1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.9760 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.6670 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -2.0760 2.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -4.1730 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -4.6960 2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -5.0600 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -5.4840 3.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -5.7960 4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -5.4000 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -4.8980 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -4.7010 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -4.9940 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 -5.4870 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 -5.6960 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.4480 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -4.5300 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -4.5280 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -5.0250 4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -4.3180 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 -4.8420 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4410 -5.7140 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -6.0780 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -1.4640 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.3340 1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 1.6200 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 35 36 1 0 0 0 0 M END