IFLAB-ZINC00071812 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.2100 1.8310 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 0.3280 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.3410 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -1.8510 0.8820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9280 -2.1430 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.4700 -0.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -1.6670 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -2.3730 -3.0920 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.3360 -1.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -2.4280 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -2.4010 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -2.9290 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -3.4860 2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -3.5140 3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -2.9790 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -4.0620 4.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 0.3460 2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 0.5520 2.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 0.7710 2.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 1.5660 3.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.5490 4.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 2.3420 5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 3.1280 6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 3.0960 5.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 2.3250 3.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 2.1190 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 2.2320 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 2.2280 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -3.4330 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.1870 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -1.9660 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -2.9070 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 -3.9000 3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.9960 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -3.4340 5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 0.5240 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.9250 4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 2.3500 6.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 3.7590 6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 3.7060 5.2070 H 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 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 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 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 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 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 M END