IFLAB-ZINC05251507 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 0 0 0 0 0 0999 V2000 0.9150 1.5590 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 0.9040 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 3.2990 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 3.6620 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 5.0870 1.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 5.7770 2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 5.3110 3.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 7.2600 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 7.7020 1.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 7.8920 3.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 9.2450 4.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 10.1750 3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 11.5070 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 11.9260 4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 10.9990 5.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 9.6630 5.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 11.4290 7.2350 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6200 12.6170 7.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 10.5790 8.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0570 0.5050 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 1.7970 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 2.1870 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 1.1630 3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -0.1230 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 1.0190 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 3.8700 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 3.5110 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 3.3390 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 3.1740 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 5.6250 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 7.2910 4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 9.8950 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 12.2180 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 12.9650 5.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 8.9480 6.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.8260 1.5150 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9500 1.5940 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 36 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 36 1 M END