IBS-ZINC04089095 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5110 -0.3650 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.5190 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 0.0200 1.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -1.5420 1.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -2.2970 1.6910 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7240 -3.3520 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -2.1250 2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.4090 4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -2.7680 5.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -3.0240 6.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.9240 6.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -2.5690 5.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -2.3170 4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -1.9510 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -2.0050 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -3.2210 7.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -3.8900 8.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -3.3860 7.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -1.9170 0.3930 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3700 -0.5260 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 0.1260 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 1.2770 -0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -0.7590 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -2.0180 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -3.0650 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -2.8140 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -1.5740 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -0.5170 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -2.7560 -0.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -1.1020 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -2.8130 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -2.8450 5.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -2.4900 5.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -1.7310 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -2.3210 4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -4.9700 8.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -3.6310 9.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -4.0380 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -3.6120 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9420 -1.4290 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 0.4500 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -2.5660 -1.5240 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 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 M END