IBS-ZINC04026755 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2950 -2.5090 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -2.6860 -0.5950 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2880 -2.2930 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -4.2130 -0.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4080 -4.5890 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -4.6650 0.9220 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0880 -4.3480 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -6.1950 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -6.5970 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -6.1640 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -4.7380 -1.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -6.7760 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -6.6160 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -4.0900 1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -2.6770 1.4350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0480 -2.3360 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -2.1820 2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -2.4180 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 -1.8580 4.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 -2.6500 4.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -2.1360 5.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -0.8300 5.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -0.0380 5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -0.5540 4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -0.2800 6.4450 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4370 -0.9780 6.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4400 0.8710 6.8440 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5510 -2.2670 -1.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -6.5280 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -6.6350 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -6.4550 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -6.4460 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -7.8630 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -7.7030 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -6.2860 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -6.1810 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -3.4900 3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -1.9300 3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -3.6700 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 -2.7550 5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 0.9820 5.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 0.0640 4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -1.3070 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 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 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 52 1 0 0 0 0 M CHG 1 30 1 M CHG 1 32 -1 M END