IBS-ZINC04898911 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.9570 0.3100 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -1.0400 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -2.8130 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -3.1180 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -2.2090 0.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -0.7780 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -0.4980 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 -2.7190 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -2.4940 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 -1.8460 2.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7890 -1.6650 4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 -2.1520 4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6080 -2.8230 3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8550 -3.0110 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -3.7000 0.9140 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 -3.9170 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -3.4580 -0.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2640 -4.7090 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5550 -5.2620 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1130 -6.0140 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3920 -6.2320 -3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 -5.6980 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 -4.9460 -2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8050 -1.9400 5.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1470 -2.4060 5.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -1.0400 5.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -0.5250 5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 0.4530 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 0.3810 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 1.1350 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -1.8250 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.0950 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -3.0450 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -3.3790 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -3.0250 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -4.1650 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -0.3700 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -0.2260 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 0.5570 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -0.7580 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -1.5120 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6140 -3.2320 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1440 -5.1100 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1120 -6.4300 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 -6.8160 -4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -5.8640 -4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -4.5400 -2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 -2.1360 6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7690 -1.9200 4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1900 -3.4960 5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -1.3270 5.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 0.2440 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 -0.0530 6.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -1.3310 0.0050 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0630 -1.1110 -0.9890 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 31 1 0 0 0 0 2 32 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 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 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END