IBS-ZINC03985253 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.3170 1.9560 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.4520 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.1130 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -0.2450 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -1.7620 -0.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9570 -2.2220 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -2.3620 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -2.7220 -1.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -2.4360 1.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -2.9750 1.4950 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4780 -2.6220 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -4.5140 1.6370 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1170 -4.8440 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 -5.2760 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -4.9320 1.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -4.2800 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -2.4640 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -1.6400 3.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.2040 -1.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -3.3370 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -3.9530 -0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -3.8130 -2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -4.9330 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -5.3640 -3.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -4.6780 -5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -3.5590 -5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -3.1330 -3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -2.0260 -3.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -1.5250 -4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -1.5380 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -0.5540 -2.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 2.4760 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 2.3870 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 2.1650 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 0.3190 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -0.0590 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -1.1580 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 0.4470 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -0.0830 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 0.2560 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -2.0620 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -5.1320 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -6.3500 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -4.9720 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -5.4720 -1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -6.2350 -3.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -5.0160 -6.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -3.0370 -6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -2.9820 3.4000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 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 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 19 20 1 0 0 0 0 19 30 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 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 1 49 -1 M END