IBS-ZINC05342359 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0680 1.2620 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0090 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6410 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -0.0480 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -0.6880 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.9250 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -2.5220 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -1.8750 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 -3.7340 -1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -4.2860 -1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -2.5750 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 -1.8580 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9870 -0.6420 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3290 -2.5450 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5720 -1.9530 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4850 -3.0200 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7960 -4.1400 0.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5420 -3.8950 0.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 -4.5690 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9580 -2.9050 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5570 -1.6500 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9280 -1.5490 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7080 -2.6910 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1220 -3.9400 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7490 -4.0560 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1720 -5.2840 0.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6750 0.0160 0.9160 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 1.6550 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 1.9520 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 1.1470 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 0.9140 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -0.2250 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -2.3340 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -4.4150 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -5.2520 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -3.6100 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -3.5400 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7940 -0.8970 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9510 -0.7580 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7800 -2.6040 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7360 -4.8270 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9200 -5.6520 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 M END