IBS-ZINC00541258 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.5280 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0110 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.5000 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -1.8390 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.6440 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -3.9930 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -4.5660 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -3.7650 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -2.3950 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -4.5370 0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -5.8440 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -6.8680 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -8.2570 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -8.6460 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -9.9500 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -10.8730 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -10.4960 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -9.1980 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -12.2710 -0.4740 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7900 -12.6060 0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -13.0860 -1.0830 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3660 -5.9520 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -6.9590 -0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 1.9180 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 1.9840 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 1.7640 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -0.2250 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.4450 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.2000 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -4.6160 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -1.7630 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -6.6640 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -7.9260 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -10.2520 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -11.2230 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9030 -8.9060 -1.2560 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 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 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 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END