NCID-ZINC04962397 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 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 -1.4940 -4.0310 -4.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -4.3820 -5.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4370 -3.4670 -5.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -5.1220 -6.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -6.2460 -6.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -4.5330 -7.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -5.2520 -8.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -4.3800 -9.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -3.2720 -9.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -5.2300 -4.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -5.2600 -4.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -4.5840 -5.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -6.1320 -3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 -5.9810 -3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 -6.8660 -2.4570 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5850 -7.8940 -2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4130 -6.8130 -2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1360 -6.1030 -2.0940 O 0 0 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 -0.9580 -3.4000 -5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -4.9460 -4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.6340 -7.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -6.1670 -8.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -5.5020 -9.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -5.7700 -3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -7.1720 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 -5.8290 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 -4.9400 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4360 -6.2840 -4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -6.4690 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -4.8340 -10.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9260 -7.5540 -3.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6930 -6.3830 -1.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0110 -5.4320 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8780 -7.4870 -3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -4.2380 -11.5700 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 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 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 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 48 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 47 50 1 0 0 0 0 48 53 1 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 M END