IBS-ZINC05180203 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.7800 0.4400 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 0.5190 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -0.5950 1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -0.0670 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 1.2990 2.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.9540 2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 1.6850 1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 3.0670 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 3.4640 1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 3.8860 1.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 5.2810 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.7120 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -2.0060 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -2.4410 0.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -2.9130 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -2.6400 4.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -3.9250 4.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -4.0260 5.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -4.9190 3.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -4.3990 2.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2210 -4.6470 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.9900 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -5.9100 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -6.4910 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -6.1640 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -5.2560 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -4.6730 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -6.3260 4.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -7.0030 4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -8.8760 5.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -9.1890 5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -1.4450 4.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -0.5810 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 1.0660 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 0.7820 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 5.5700 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 5.8350 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 5.5290 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -1.7050 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -0.1160 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -0.8160 3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -6.1770 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -7.1910 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -6.6090 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -4.9960 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -3.9650 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -6.8330 3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -6.3680 4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -6.5980 5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -6.8660 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -8.4500 6.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -8.4870 5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 -9.9670 5.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -8.9600 4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -8.8200 6.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -10.2670 5.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -1.6410 5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -8.5040 4.9440 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2220 -8.8690 4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 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 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 58 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 58 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 58 1 0 0 0 0 32 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END