IBS-ZINC05052011 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.5870 1.7710 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.1140 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 3.2270 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 3.8460 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 5.1040 -0.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 6.3900 -1.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1010 6.3080 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 7.2740 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 6.6280 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 5.2060 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 4.3240 0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 7.1000 1.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 8.7090 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 9.5410 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 9.1330 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 8.5040 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 8.9060 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 9.9330 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 10.5760 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 10.1740 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 11.5890 -1.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 12.1080 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 6.8060 -2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 7.3260 -3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 7.7590 -4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 7.6770 -5.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 7.1630 -4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 6.7320 -3.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 8.2170 -6.7140 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 0.7260 -2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 2.3720 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 2.1560 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 1.6520 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 0.0900 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 1.1000 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 3.8260 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 3.1530 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 4.0220 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 3.1610 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 6.3420 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 7.7160 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 8.4260 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 10.2130 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 10.6710 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 11.3510 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 12.9350 -2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 12.5060 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 7.4150 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 8.1680 -5.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 7.1040 -4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 6.3480 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 1.8230 -1.1250 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7590 1.2950 -1.0700 H 0 0 0 0 0 0 0 0 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 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 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 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 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 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END