IBS-ZINC02394985 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 -0.1300 0.1580 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.3830 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -0.6940 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -0.4620 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 0.0730 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 0.3830 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.7940 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 -0.1250 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 0.9770 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8670 1.5630 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 1.0610 -2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3670 -0.0180 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -0.6190 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 -1.6420 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 -2.1960 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -1.8140 0.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -3.5510 2.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7160 -3.7880 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2150 -4.9700 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 -4.8380 3.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8290 -6.2020 2.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2480 -7.4380 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 -7.7710 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1690 -8.9890 3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9510 -10.7540 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3920 -11.0680 2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2980 -10.1270 3.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0290 -8.7960 2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6210 -8.3560 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 0.3970 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.5680 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 -1.1310 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 0.2430 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 0.7960 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 1.3910 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 2.4060 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 1.5060 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 -0.3960 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 -3.9850 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 -2.9000 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 -6.2400 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -7.3360 3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 -8.2270 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7830 -7.9510 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3310 -6.9070 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 -8.8330 4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5540 -9.8580 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2490 -11.4340 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8200 -10.7920 4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6670 -12.0630 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5150 -11.0660 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7690 -8.1350 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1670 -8.7410 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4960 -8.3720 4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4050 -7.3610 2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5990 -9.3340 2.7090 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6750 -9.3020 1.6830 H 0 0 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 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 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 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 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END