IBS-ZINC04736760 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8180 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -3.1410 -3.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -4.0060 -4.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -4.3070 -5.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -4.9600 -6.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -5.4660 -7.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -6.0850 -8.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -6.2290 -8.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -5.7110 -7.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -5.0760 -6.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -4.4590 -5.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -5.8410 -7.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -6.6050 -6.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -6.7220 -6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6100 -6.0840 -8.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -5.3270 -8.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -5.1970 -8.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 -4.6490 -10.0460 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7500 -4.7590 -10.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 -3.9820 -10.8310 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8480 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.2170 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.7630 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -6.4850 -8.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -6.7360 -9.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -7.1030 -5.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 -7.3120 -6.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6780 -6.1790 -8.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -4.6010 -9.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END