IBS-ZINC02128553 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.2470 0.5720 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.8290 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -1.0570 1.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9860 -0.6840 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -2.5800 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -0.3840 2.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7140 -0.7230 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -0.7950 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -0.5510 3.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -1.4230 4.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -1.8480 4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -2.9020 5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -2.3960 6.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -1.7610 5.9160 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7130 -2.4840 5.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -0.5900 6.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 0.5190 6.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 1.0930 2.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 1.8160 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 3.1030 1.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 3.8320 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 5.2250 2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 5.9880 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 5.3630 2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 3.9740 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 3.2190 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.7490 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 1.1870 2.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 0.9160 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 0.5740 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 1.2910 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -1.0900 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -1.5170 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -3.0660 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -2.8250 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -3.0270 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -0.9770 4.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -2.2580 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -3.0280 6.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -3.8700 5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -1.6640 7.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -3.2030 7.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.2160 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 5.7130 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 7.0700 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 5.9570 2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 3.4870 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -0.9040 7.5540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 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 48 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 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 1 0 0 0 0 27 28 2 0 0 0 0 M CHG 1 48 -1 M END