IFLAB-ZINC01796128 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 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 3 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -0.1650 1.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 0.0260 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -0.1100 0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 0.4110 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 0.5940 2.1230 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 1.7640 1.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5910 1.0380 3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 2.3700 4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 2.7170 5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6640 1.7330 6.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4740 0.4020 5.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9410 0.0540 4.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 -1.3720 4.2470 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.0510 -2.2400 5.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 -1.6790 3.1680 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.2480 2.1120 7.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3430 3.5050 7.5620 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.5220 1.5490 7.6020 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.4210 1.6350 8.4950 F 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -2.4350 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -0.3660 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.3550 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5120 3.1380 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 3.7580 5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 -0.3670 6.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END