IBS-ZINC04981535 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 -0.6630 -1.6670 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -2.0500 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -1.0220 4.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -0.8710 4.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -0.2910 1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 1.2140 2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 1.7460 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 3.1940 1.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 3.8850 2.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7100 3.6180 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 5.3530 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 5.4310 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 4.0360 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 3.7560 -0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 6.4150 0.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 6.3930 2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 6.1980 3.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 7.7900 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 8.6220 3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 9.9530 2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 10.4570 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 9.6320 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 8.3040 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 9.9920 -0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 11.2750 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6190 3.4900 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 3.1120 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 2.7500 3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2650 2.7750 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 3.1340 1.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 3.4910 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -1.1520 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -2.5660 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -1.0140 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -2.5780 2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -2.6930 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -0.2690 4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -2.0140 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -1.6180 4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -0.9930 5.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 0.1220 4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -0.5110 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -0.8480 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.7180 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 1.4610 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 1.2900 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 1.4880 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 7.0620 4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 8.2440 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 10.6000 3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 11.4960 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 7.6690 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 11.3800 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 11.3780 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 12.0690 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 3.1090 4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 2.4620 4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 2.5030 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 3.7810 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.8040 2.5430 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.0770 2.4420 H 0 0 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 35 1 0 0 0 0 2 36 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 60 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 31 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END