IFLAB-ZINC04088545 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.8520 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -2.1330 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.0140 0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -1.1090 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -2.2410 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -2.4490 -3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -1.5150 -4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -0.3760 -3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -0.1820 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -1.7320 -5.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -2.7250 -6.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -0.8280 -6.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -1.0330 -7.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -0.1290 -8.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 0.8650 -7.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 -0.3450 -9.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -1.4890 -10.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -1.6980 -11.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0390 -0.7660 -12.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 0.3780 -11.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 0.5840 -10.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4550 1.3330 -12.8130 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 0.1820 -14.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4890 -0.7920 -13.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -2.9630 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -3.3330 -4.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 0.3510 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 0.6970 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -0.0350 -5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -1.8250 -8.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -2.2120 -9.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 -2.5840 -12.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 1.4650 -9.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6330 0.2650 -15.0440 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 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 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 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 27 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 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 M END