IBS-ZINC03985227 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.2400 1.1010 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.0960 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -0.7410 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -0.1910 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 1.0110 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 1.6540 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -0.8770 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -0.8940 -1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3970 -1.4700 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 -1.6430 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 -1.0480 -1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 -3.0140 -1.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 -3.8650 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -5.2400 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 -5.2580 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -3.8120 -1.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1820 -3.6820 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6090 -3.5260 -2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 -3.0770 -3.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 0.4230 -1.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 0.5150 -3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -0.3920 -3.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 1.7960 -3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 1.9690 -5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 3.1960 -5.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 4.2430 -5.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 4.0690 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 2.8390 -3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 2.6530 -1.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 3.4070 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 1.4830 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 1.4570 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 1.6020 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -0.5280 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -1.6750 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 1.4550 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.5860 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -0.4420 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -1.9070 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -3.5340 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -3.8420 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -5.3280 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -6.0490 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7940 -5.9680 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 -5.5660 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 1.1530 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 3.3380 -6.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 5.1970 -5.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 4.8950 -3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8190 -3.8380 -2.4640 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 50 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 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 CHG 1 50 -1 M END