IBS-ZINC05033627 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0870 1.3450 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.0570 0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -0.6720 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 0.0580 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -0.5760 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 -0.1180 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 1.1140 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 1.2140 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7550 0.0900 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1470 -1.1360 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -1.2560 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -2.3110 -0.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9510 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -2.6750 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -2.0400 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -2.7760 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -3.9470 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -4.5900 1.3980 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -4.6120 0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -5.7840 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -6.2400 1.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -6.5130 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -7.7320 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -8.3750 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -7.8000 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -6.6490 0.8820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -6.0020 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4700 -8.6030 1.5620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 1.7090 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.8680 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.5290 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 1.1170 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 1.9900 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4920 2.1680 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 0.1760 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7420 -2.0050 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -3.7350 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -2.4420 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -4.2480 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -8.1580 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -9.3160 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -5.0660 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 15 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 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 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 M END