IBS-ZINC02694825 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.8520 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.2270 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -0.2870 1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -0.4990 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -1.2930 -2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -1.0300 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 0.0540 -3.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 0.8460 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 0.5610 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 2.1100 -3.2000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 1.4890 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 0.4620 -4.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 2.0280 -5.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 1.4720 -7.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 0.4990 -7.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 2.0490 -8.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 1.4700 -9.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4600 2.0200 -10.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2300 3.1310 -10.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1820 3.6540 -8.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4220 3.1090 -7.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -0.4780 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -2.1260 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -1.6560 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 1.1750 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 2.8050 -5.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 0.6050 -9.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4800 1.5940 -11.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8600 3.5840 -10.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 4.5200 -8.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 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 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 M END