IBS-ZINC02104107 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.3290 0.2080 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -1.0790 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -1.2630 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -0.1630 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 1.1280 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 1.3110 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -0.3890 -0.5480 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1250 -1.4520 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 0.4090 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 1.5470 -1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.0250 0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 -0.8620 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 -1.9890 1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -0.2310 1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7780 -1.2530 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 -1.7320 2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7670 -2.7210 2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7760 -3.1320 2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4080 -3.1530 3.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 -2.6690 4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4120 -1.7360 3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 -1.3240 4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -1.8240 5.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 -2.7450 6.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 -3.1790 5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 -3.2050 7.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 0.3510 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -1.9410 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.2730 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 2.0030 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 2.3160 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 0.9110 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 0.2830 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 0.5540 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 -1.4140 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 -0.6200 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -1.4970 6.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6580 -3.9000 6.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 -3.8550 8.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 -0.1720 -2.8730 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 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 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M CHG 1 40 -1 M END