IBS-ZINC02128802 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 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 0 0 0 0 0 0 0 0 0 0 3.6820 -6.2900 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -7.8020 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -8.2690 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 -7.4750 0.8600 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 1.8830 -6.3210 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -6.0480 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -5.7840 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -6.0570 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -8.3070 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -8.0350 -2.0710 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 5.0330 -9.5680 0.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -9.8200 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 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 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 46 47 1 0 0 0 0 M END