IBS-ZINC05451126 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.0230 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.0910 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 0.0520 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -0.1570 -3.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 0.4700 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 0.5530 -3.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 1.6840 -4.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 2.9710 -4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 3.9260 -5.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 3.6190 -6.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 2.3480 -6.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 1.3720 -5.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 -0.0390 -5.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -0.4920 -4.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -1.8260 -4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 -2.2540 -2.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -2.6460 -4.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 -2.1370 -6.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 -0.8850 -6.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 -3.3840 -7.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 -4.7040 -5.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -4.0460 -4.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 4.5730 -7.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 5.8660 -7.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.4560 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.3260 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -2.3750 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 0.0750 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.4440 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 -0.2640 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 3.2200 -3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 4.9220 -5.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 2.1110 -7.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -5.5380 -6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3430 -5.0390 -5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3110 -4.1020 -3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 -4.5960 -4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 5.7830 -6.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 6.2700 -6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 6.5300 -7.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END