IFLAB-ZINC04087017 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.1190 0.8290 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 0.8690 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 1.6910 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 1.9160 3.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 1.7470 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 1.9850 2.7830 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 2.3090 4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 2.2900 4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 2.5880 6.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 2.5300 7.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 3.0010 6.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 2.5540 5.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 2.6310 4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0350 2.5980 3.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5710 2.8140 5.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7050 3.6000 5.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6420 3.7990 6.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4490 3.2020 7.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3310 2.4020 8.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3910 2.2030 7.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6030 3.4470 9.2120 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 1.3420 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.2450 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 1.0200 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 1.3120 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 0.9130 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.1780 2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 1.1680 4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 2.6660 3.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 3.1500 5.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 3.1890 7.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 2.6910 6.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8630 4.0640 4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5160 4.4170 6.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1880 1.9260 9.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 1.5520 7.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 0.2990 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 1.9900 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.4390 1.3640 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2910 2.4420 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END