IBS-ZINC02153265 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -2.1170 1.2740 1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 0.1400 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -0.9810 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -2.1150 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -3.3310 -0.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9970 -3.6930 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -4.4220 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -4.5520 -2.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -3.0230 -1.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -2.5570 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 -2.3440 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6430 -2.3150 -2.3540 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0150 -1.7310 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0380 -3.6550 -2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8220 -1.6040 -1.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 -0.6850 -2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3040 0.1640 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9310 1.1570 -3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6170 1.3180 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2240 2.3360 -5.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8110 2.4060 -6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8060 1.5070 -7.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4660 1.6160 -8.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2740 0.5350 -6.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 0.4510 -4.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0350 -0.5470 -4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2580 3.3020 -4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6600 2.6860 -4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6810 3.6800 -4.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 2.0640 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 1.7140 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 0.9190 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 0.5340 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.2540 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -1.3730 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -0.5660 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -1.7250 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -2.4290 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -3.2210 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -4.2310 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 -4.2610 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 -3.5180 -3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5590 0.0560 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6630 1.7900 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2130 3.1420 -7.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -1.1910 -4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9600 3.6850 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2960 4.1900 -5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9660 2.3610 -5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6670 1.7960 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7340 4.5680 -4.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6750 3.2240 -4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4240 4.0010 -3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -5.0430 -0.0230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 54 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 54 -1 M END