IBS-ZINC05163631 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 0.1880 0.7420 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.4450 -1.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.6260 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 0.2380 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -0.0150 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 -1.1310 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -1.9990 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -1.7720 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -2.7190 0.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5610 -2.3670 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -2.7670 1.4870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4620 -3.1160 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -1.3760 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -1.4440 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -2.4760 4.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -3.8520 3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -3.7880 2.4790 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2710 -5.1660 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -5.1180 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -4.1900 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -5.4850 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -6.2400 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -7.4400 -3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -7.9010 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -7.1640 -3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -5.9630 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -5.0970 -2.4390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -3.3860 2.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 0.7390 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 0.7580 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 1.6360 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 1.1190 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 0.6610 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -1.3290 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -2.8510 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.6850 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.9560 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -1.6970 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.4570 3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -2.5550 5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -2.1340 4.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -4.2550 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -4.5290 4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -5.5720 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -5.8660 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -6.1090 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -4.8240 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -3.3750 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -3.9740 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -5.9030 -2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -8.0140 -3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -8.8350 -4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -7.5330 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -3.8240 3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -4.1560 -0.4330 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5380 -4.4960 -0.5740 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 55 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 28 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END