IFLAB-ZINC04518746 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 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 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -2.3960 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -3.7680 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.5980 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -4.0500 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -2.6790 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -5.9920 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -6.9270 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -8.1920 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -9.3280 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -9.1670 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -7.9580 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -6.8540 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -7.8320 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -6.5720 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -6.4600 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 -7.5950 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 -8.8490 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -8.9770 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -10.2100 -0.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -11.3330 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -12.6250 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -10.6830 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -10.8150 -0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -11.7710 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -7.9750 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -8.6620 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -6.6450 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -6.1140 0.0220 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -1.7500 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -4.1940 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -4.6960 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.2520 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -5.6840 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 -5.4830 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -7.5000 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 -9.7310 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -11.3010 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 -11.3020 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -13.4820 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -12.6580 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -12.6570 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -11.6660 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -12.6580 -0.0570 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 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 M END