IBS-ZINC02205881 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0560 1.6080 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.0940 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.4430 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.2910 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -0.0120 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -0.9170 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -0.5680 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.6660 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 1.4050 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 2.5780 -1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 3.5430 -2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 3.2610 -1.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2420 2.0940 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3720 1.1250 -0.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3990 4.7190 -2.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 5.6770 -3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 6.9080 -3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 2.6100 -2.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 1.4490 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 1.1820 -1.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -1.5260 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -2.5380 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -3.1370 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -2.2280 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -3.6810 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 -1.9100 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 2.0060 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 2.1290 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 1.8580 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -0.3640 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -0.0150 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -1.5330 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -0.2010 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -1.3470 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.2610 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2770 1.9200 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 4.8580 -3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 5.9970 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 5.2110 -3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 6.6420 -4.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 7.4340 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 -2.0570 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -0.9760 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -2.0410 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -2.7670 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 -3.3190 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -4.4390 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -4.1970 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -1.0510 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -2.6360 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 -1.5650 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 7.8820 -4.1470 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6090 8.7100 -4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 7.4750 -4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 8.2140 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 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 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 20 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 19 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 18 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 M CHG 1 52 1 M END