IFLAB-ZINC02457393 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.5410 1.5980 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 0.1500 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -0.8400 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -2.2110 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -2.6140 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -1.6100 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.2390 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.7730 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -3.9380 -1.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -4.8140 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -6.1640 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -6.7520 -0.9610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -5.8570 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -4.5000 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -8.0620 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -8.7980 -1.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -8.6600 -2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -9.3010 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -9.9510 -1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -9.9740 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -9.3450 -3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -8.6720 -3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -7.9950 -4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -6.8720 -4.0540 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7160 -3.2020 1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 2.1300 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 2.0690 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 1.7160 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -0.5430 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9160 -2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 1.3250 -2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 0.2940 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 1.4740 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -4.9810 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -4.3580 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -6.8450 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -6.0370 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -6.3110 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -5.7020 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -3.8320 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -4.6180 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -9.3020 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -10.4480 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -10.4860 -3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -9.3760 -4.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -4.0030 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -3.6260 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -2.7280 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -8.5840 -5.5010 O 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 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 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 49 2 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 M CHG 1 24 -1 M END