IBS-ZINC05016727 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.1620 1.7950 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 0.6210 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.0460 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -0.6500 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -1.8250 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.4410 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -3.8480 -2.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -4.3270 -3.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4320 -3.8350 -3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -5.8690 -3.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5170 -6.1260 -2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -4.8520 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -4.7660 -1.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -7.2090 -1.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -6.3320 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -5.6390 -2.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -7.6530 -3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -7.8680 -3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -9.0930 -3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 -10.0930 -4.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -9.8640 -4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -8.6740 -3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -3.9550 -5.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -3.5200 -5.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -3.2130 -7.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -3.3460 -7.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -3.7810 -7.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -4.0860 -5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -2.9740 -9.4700 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 2.3140 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 1.4660 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 2.5210 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 0.9220 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 0.1520 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.3890 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 1.0440 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -0.3060 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -0.3460 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -1.7430 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -1.7540 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -2.4410 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -1.8930 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -2.3920 -2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -6.3690 -4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -7.1040 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 -9.3100 -3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -10.6950 -4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -8.5860 -3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -3.4220 -5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -2.8800 -7.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -3.8940 -7.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -4.4320 -5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -0.4190 -1.1000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9420 -0.4280 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 53 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END