IFLAB-ZINC02721232 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.6850 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -1.9000 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 0.0080 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -0.7040 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 0.3090 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -0.5720 -0.0840 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0450 0.7350 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6410 1.3770 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4960 1.1940 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2110 1.9710 3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0810 2.9420 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2390 3.1410 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5220 2.3600 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4670 2.3220 -0.7780 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9760 2.8950 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5820 1.3390 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 1.0010 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 2.0160 -3.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7320 1.6930 -4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6760 0.3670 -5.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9140 -0.6440 -4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2140 -0.3350 -2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3040 -0.0310 -6.8650 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9880 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 0.9780 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 -1.3340 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -1.3250 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 0.9390 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2190 0.9300 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8210 0.4410 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0980 1.8290 4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6390 3.5490 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9180 3.8990 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0680 3.0510 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5450 2.4770 -5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8680 -1.6770 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4040 -1.1240 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 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 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 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 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 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 46 1 0 0 0 0 28 47 1 0 0 0 0 M END