IFLAB-ZINC05241353 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 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 0.8790 -0.6050 1.4720 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -0.2900 1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.3250 2.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.3600 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -3.0310 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -4.4090 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -5.1240 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -4.4540 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -3.0640 1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -5.2140 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -4.6280 2.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -6.5560 2.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -7.2690 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -8.6280 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -9.1170 3.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -8.1290 3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -6.5710 3.6440 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -8.3360 4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 -9.7380 4.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.7100 -9.7780 3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -10.7560 4.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -10.5850 3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 -10.0620 5.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -9.4840 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -10.1630 1.5780 N 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -2.4760 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -4.9260 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -6.2000 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -2.5400 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -7.0240 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -8.2430 5.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 -7.5900 4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -10.5900 5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 -11.7660 4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -10.9070 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -11.1830 3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3400 -9.3320 5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 -11.0610 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 -10.0250 6.3310 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 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 3 0 0 0 0 M END