IBS-ZINC02117715 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8240 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.6710 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -4.0230 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -4.5840 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -3.7250 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -2.3360 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -4.2950 3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -5.6780 3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -6.4510 2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -5.9110 1.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -7.9520 2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -3.2780 4.9010 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -4.5530 5.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -3.8880 7.1890 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0650 -3.1880 6.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -4.9430 8.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 -5.3320 9.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -2.2460 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -4.6640 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -1.6750 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -6.1510 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -8.3290 3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -8.3810 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -8.2320 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -5.1860 6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -5.1610 5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -2.4110 7.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -5.4500 7.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -3.1660 7.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -3.7940 8.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5490 -6.1240 8.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 35 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 M END