IBS-ZINC05317304 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 52 0 0 1 0 0 0 0 0999 V2000 2.0060 -1.8150 -3.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -0.9330 -4.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 0.4010 -4.0990 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7420 0.9090 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 1.2910 -5.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 0.2510 -3.8550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4260 -0.4910 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 1.5970 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 2.2960 -4.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 1.9540 -2.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 3.2440 -1.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5970 4.0350 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 3.2890 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 3.4940 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 3.8670 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 3.6700 0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 4.4370 -1.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 4.7150 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 4.5910 -2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 3.5030 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 2.4570 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -0.1450 -5.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -1.4210 -5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -2.4320 -4.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -1.3860 -6.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -2.6010 -7.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -3.5380 -6.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -2.1270 -8.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -3.2970 -7.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -1.2700 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -2.1870 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -2.6860 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -0.7140 -4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -1.4920 -5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 0.8270 -6.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.2700 -5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 1.4660 -5.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 1.3340 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 2.3670 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 4.1070 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 4.2950 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 2.5800 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 0.5910 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -2.9980 -6.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -4.3750 -7.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -3.9630 -5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -1.4220 -9.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -2.9630 -9.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -1.5890 -8.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -3.7160 -7.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -4.1190 -8.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -2.5870 -8.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 4.6990 0.0180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 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 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 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 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 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 19 1 0 0 0 0 20 21 2 0 0 0 0 20 53 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M CHG 1 53 -1 M END