IBS-ZINC06624062 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 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 1.1770 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.0960 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -2.6950 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.7950 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.1790 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.7730 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -0.1310 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.8720 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -2.2640 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -2.9160 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -2.9870 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -2.2540 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 -3.2170 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 -4.4130 0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 -2.7500 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5000 -3.6860 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8140 -2.9020 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9730 -3.8640 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6630 -4.2970 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6440 -5.1630 -0.5080 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2710 -5.6060 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6080 -5.3130 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5560 -4.5110 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2760 -4.4670 2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0350 -5.2170 3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0740 -6.0130 3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3630 -6.0580 1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7660 -5.1790 4.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5900 -5.9790 5.7660 C 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 2.1140 -0.1490 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.9480 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -0.3760 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -3.9960 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -1.6320 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -1.6220 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5360 -1.7940 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4650 -4.3080 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4380 -4.3180 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8490 -2.2790 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8760 -2.2700 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4720 -4.0040 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4700 -3.8500 3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6610 -6.5970 3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1700 -6.6800 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2700 -5.8570 6.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6280 -5.6640 5.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4990 -7.0270 5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 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 26 27 1 0 0 0 0 26 47 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 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END