IBS-ZINC00754222 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 49 0 0 1 0 0 0 0 0999 V2000 0.1800 1.4510 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 0.0590 0.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.5360 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 0.1510 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -0.5270 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -1.8970 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -2.5860 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -1.9280 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -2.6190 0.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.7200 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -4.0120 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -4.8680 0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -4.1320 0.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -2.8530 0.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1960 -2.8810 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 -2.7380 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -3.7810 2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1290 -3.2500 3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9060 -3.7930 4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7790 -2.9610 4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8870 -1.6070 4.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1260 -1.0460 3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2550 -1.8890 2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 -1.6080 1.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2970 -0.6940 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -5.1860 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -5.3420 0.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6530 -5.2870 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -6.7230 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -7.5140 1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 1.7470 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 1.6750 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 2.0310 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 1.2240 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 0.0210 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -1.7340 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -3.2080 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -3.3320 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8290 -4.8470 4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3770 -3.3800 5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5710 -0.9780 5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2080 0.0070 3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -5.3710 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 -5.9110 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -6.9370 -0.7540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 M CHG 1 45 -1 M END