IBS-ZINC02272821 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.5020 1.5630 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 0.0560 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.5400 -3.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.6300 -1.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.0260 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.7540 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -4.1320 -2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.7870 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -4.0650 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -2.6870 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -6.5450 -0.9900 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -6.8780 0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -6.9480 -2.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -7.1290 -0.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -6.8680 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -7.3690 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -7.1280 1.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -6.4040 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 -6.1330 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -5.3940 4.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -4.9010 4.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -5.1450 3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -5.9020 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -6.1510 1.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -8.1190 -0.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -8.6900 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -9.9310 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -10.5020 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 -9.8430 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 -8.5930 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 -8.0180 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 -7.8860 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6120 -8.3870 0.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -10.4070 -0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 1.9270 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 1.9160 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.9340 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -0.1560 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.2440 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -4.6990 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -4.5790 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -2.1240 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -7.6530 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 -6.5100 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -5.1880 5.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -4.3180 5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -4.7560 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -8.2460 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -10.4490 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 -11.4650 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 -7.0540 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4960 -10.1720 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -6.6850 1.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0080 -6.2600 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 34 52 1 0 0 0 0 53 54 1 0 0 0 0 M END