IBS-ZINC06662239 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 66 0 0 1 0 0 0 0 0999 V2000 -3.6020 -1.4380 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -1.3240 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -1.8610 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -2.0930 1.9800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5880 -1.0950 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.9090 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -2.2830 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -2.1510 0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -2.6550 3.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9430 -2.2160 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -4.1960 3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -4.8130 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -6.9890 4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -8.4420 4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -9.2150 5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -11.2520 6.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -11.5270 4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -2.2180 2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -0.7280 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -0.1360 4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 1.2330 4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 2.0360 3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 1.4690 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 0.0970 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -0.5160 0.1240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 0.1490 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -0.8570 2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 -1.0880 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -2.4830 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -1.1730 3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -2.8060 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -2.9870 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -3.9260 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -1.3150 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -2.9340 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -4.6850 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -4.4360 3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -4.3280 4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -4.8100 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -6.9230 3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -6.4710 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -8.9040 3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -8.4760 5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -8.7240 6.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -9.2850 4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -11.3220 5.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -10.6180 7.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -12.2410 6.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -11.1250 4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -11.5670 3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -12.5190 4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -2.7000 3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -2.6130 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -0.7430 5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 1.6710 5.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 3.1010 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 2.1050 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 0.7970 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 0.3220 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 0.4800 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -6.2590 4.0460 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5620 -6.7230 3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -6.3060 4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -10.6260 5.6680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8120 -10.5800 6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 61 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 64 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 64 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 64 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 64 65 1 0 0 0 0 M CHG 1 61 1 M CHG 1 64 1 M END