IFLAB-ZINC04223547 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -1.9370 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -2.3350 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -1.7550 3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.7830 3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -0.3480 5.2830 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -1.4880 5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -2.1710 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -3.2170 4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 -2.9260 4.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -4.5030 5.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -5.4860 5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -1.6970 7.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.9700 8.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.1340 7.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -1.1970 9.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -0.2640 10.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -0.6610 10.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 0.1940 11.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.4460 12.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 1.8420 11.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 0.9860 10.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1580 2.4200 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.1830 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.4780 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -3.4220 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -1.9350 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -5.2470 6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -6.4770 5.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -5.4730 4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -2.3660 7.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -2.2290 9.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -1.0030 9.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -1.6390 10.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.1150 12.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 2.1150 12.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 2.8210 11.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.2940 10.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -0.5550 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 0.9240 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.4910 1.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 50 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 37 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 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 M END