IBS-ZINC02130829 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.3920 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -1.9100 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -2.2370 -2.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6850 -1.7310 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -3.7260 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -4.3460 -4.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -4.3680 -2.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -5.8150 -2.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9500 -6.1010 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -6.1940 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -7.1460 -2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -7.4930 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 -6.8870 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -5.9340 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -5.5840 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -6.5310 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -5.8970 -1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -1.7830 -4.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -0.8690 -4.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -0.4210 -4.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.4280 -6.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 0.5100 -7.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 0.8890 -8.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 0.3420 -8.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -0.5890 -7.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -0.9820 -6.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -1.9150 -5.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -2.3060 -5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -2.2860 -4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -3.1110 -3.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 0.0240 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 0.0400 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -2.3260 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.3420 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -3.8720 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 -7.6200 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 -8.2380 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2990 -7.1580 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7780 -5.4600 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -4.8360 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 0.9380 -6.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 1.6160 -8.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 0.6470 -9.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -1.0090 -7.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -7.8730 -1.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -8.2870 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 50 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 50 51 1 0 0 0 0 M END