IFLAB-ZINC05251514 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.7170 1.5020 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 0.1260 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.7690 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.2740 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 1.1060 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 1.9990 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 1.6190 -2.9380 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6350 0.7960 -3.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 2.8440 -3.0710 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5660 -2.1620 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -2.8710 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -2.4840 2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -4.3670 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -4.7770 -0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -5.1200 1.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -6.5480 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -6.8640 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -8.3510 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -10.1190 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -10.3610 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -9.9100 -1.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -8.5070 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -8.1680 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 2.1860 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -0.2140 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -0.9620 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 3.0730 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -2.7350 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -4.6260 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -6.9730 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -6.9540 2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -6.5220 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -6.2910 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -8.7270 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -8.9140 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -10.4020 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -10.6540 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 -11.4330 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 -9.8590 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 -8.2260 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -7.9590 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -8.6890 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -7.0890 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -8.6350 0.4190 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9180 -8.1310 0.9790 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 10 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 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 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 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 44 1 M END