IFLAB-ZINC02697419 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 -0.5280 4.7940 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 5.0190 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 4.1670 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 3.0890 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 2.8640 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 3.7150 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 3.4690 -0.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8350 3.9140 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 4.1010 -1.4300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4950 3.6760 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 3.8190 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 4.2870 -1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 5.5490 -1.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 6.2460 -2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 5.6760 -3.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 7.7360 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 8.2790 -3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 9.7680 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 10.3360 -2.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 2.0620 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 4.4080 1.9730 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4130 5.3580 2.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 3.6570 1.6690 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2780 5.4620 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 5.8620 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 2.4220 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 2.0210 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 2.7460 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 4.3340 -2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 4.1410 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 6.0050 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 7.9450 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 8.2160 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 8.0690 -4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 7.7990 -3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 1.6130 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 10.4630 -4.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 11.4150 -4.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 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 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END