IBS-ZINC02353256 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.5250 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0050 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.5330 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -2.0630 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5920 0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3800 -2.1740 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -4.1180 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -4.6380 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -6.1410 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -6.7380 0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 -6.8220 0.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -8.2210 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -8.9090 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -10.2900 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -10.9880 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -10.3060 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4400 -8.9240 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 -11.0560 -0.6670 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5340 -12.2740 -0.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4750 -10.4560 -1.1740 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5450 -2.1880 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -1.5430 -2.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.9020 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8920 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.8720 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.3520 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.3710 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -0.1870 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.1670 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -2.4100 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -2.4300 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -4.5400 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -4.4120 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -4.2150 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 -4.3430 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -6.3420 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -8.3650 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -10.8260 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3620 -12.0680 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 -8.3920 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -2.5440 -1.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -2.2620 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END