IFLAB-ZINC04086932 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 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 0.9080 -0.2500 10.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -0.4770 11.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.2440 12.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 0.0360 13.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -0.8920 14.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -1.6120 13.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -1.4010 12.6480 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 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 4.4390 -5.2470 6.0900 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 1.1280 0.7820 10.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -0.4440 10.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 0.9690 11.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 0.5980 14.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -1.0550 15.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -2.3370 14.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -1.9600 12.2030 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 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 53 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 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 26 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 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 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 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 M END