IFLAB-ZINC04275235 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -2.1650 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -2.6620 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -1.8820 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -0.7050 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 -0.1040 1.6110 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -1.4550 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -2.3240 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -3.5520 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -4.5270 3.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 -1.6460 3.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 -0.7250 3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1340 0.2740 2.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4020 -0.9300 4.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5030 -2.0760 5.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6090 -2.2600 5.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6180 -1.3130 5.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5260 -0.1750 5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4210 0.0260 4.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3020 1.4580 3.3720 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 0.0010 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -2.5230 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -2.5340 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -3.7230 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -2.5110 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3040 -2.4430 3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 -2.8160 5.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6890 -3.1460 6.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4820 -1.4630 6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3170 0.5600 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 1.0390 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -0.0400 -0.9560 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 3 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END