IFLAB-ZINC04315364 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 0.0470 0.1720 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 0.4970 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 0.8300 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.8290 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.5010 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 0.1660 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 0.5950 0.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 0.4210 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 0.9660 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.1120 -1.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 1.1510 -0.2790 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3650 0.3820 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 2.5320 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 2.7710 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3430 2.5840 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 0.9650 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 0.8940 -3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0420 0.4260 -2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4470 0.0700 -1.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7970 0.4270 -4.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1760 -0.0120 -4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 -0.0310 -5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3920 1.0990 -5.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8740 1.0940 -7.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6990 -0.0360 -8.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0490 -1.1610 -7.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5670 -1.1590 -6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1590 -0.0380 -9.2740 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -0.0830 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 0.4920 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 1.0840 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -0.0860 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 3.3190 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 2.6260 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 3.7850 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 2.0800 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9140 3.3120 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 2.6680 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -0.0610 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 1.6630 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 1.7900 -3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0410 0.0740 -3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4130 0.7360 -4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7470 0.6630 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2270 -1.0080 -3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5280 1.9880 -5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3820 1.9620 -7.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9200 -2.0310 -8.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0550 -2.0410 -5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 1.2050 -1.6950 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4280 0.5290 -1.0480 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 50 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 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 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END