IBS-ZINC02315199 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 1.4430 1.9610 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 0.7060 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 0.1570 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -0.9920 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -1.5460 -0.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -0.9710 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 0.1520 -1.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -1.5990 -2.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -1.2100 -4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 0.1000 -4.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 0.4500 -5.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.5070 -6.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.8150 -6.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -2.1840 -5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -3.6160 -4.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -3.8500 -3.7190 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0190 -1.5810 1.8680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -1.6160 3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -1.4190 3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -1.3890 4.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -1.5560 5.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -1.7690 5.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -1.8110 4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -2.0800 4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -2.3670 2.9250 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3780 1.8120 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 2.2530 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 2.7820 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 0.6410 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -2.5600 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.8830 -3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 1.4740 -6.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.2410 -7.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -2.5630 -7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -2.0950 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -1.3180 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -1.2400 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -1.5320 6.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -1.9120 6.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -4.4640 -5.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -2.0110 5.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 2 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 2 0 0 0 0 M CHG 1 16 -1 M CHG 1 25 -1 M END