ASINEX-ZINC04217972 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 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 3 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.5700 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -0.0480 -1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 0.0620 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -0.2400 -0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 0.5610 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 0.5910 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 1.0660 -3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 2.3570 -3.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 2.4630 -3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 1.9720 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8810 3.6690 -4.0050 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 4.5360 -4.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 3.1550 -4.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9900 4.5190 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0800 5.5140 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 6.1800 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1610 5.8520 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0710 4.8560 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9890 4.1940 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 6.6890 1.4680 Cl 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -3.6600 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.2190 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -2.4410 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 0.1940 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -0.1040 -3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -0.4100 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 1.2760 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 0.3350 -4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5180 1.1830 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 1.8460 -4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 3.5020 -4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 2.6440 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 1.9550 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 5.7690 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 6.9580 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8490 4.6000 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7020 3.4200 -1.8080 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 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 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 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 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 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 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 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END