ASINEX-ZINC04952853 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1590 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4560 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -1.8360 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.6060 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.9960 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.7520 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -4.1710 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -2.4890 -4.3660 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5430 -3.7040 -4.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -1.8110 -5.2510 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3920 0.3790 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 1.0390 -6.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 1.0090 -7.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 1.1390 -6.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 1.1680 -5.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 1.7990 -8.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 2.7530 -8.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 4.0920 -8.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 4.9680 -8.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 4.5060 -7.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 3.1670 -7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 2.2900 -7.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 2.5870 -6.5590 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.2370 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -3.6840 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -4.4590 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -4.6540 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -4.4830 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 1.3870 -3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -0.0690 -4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 0.4730 -6.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 2.0710 -6.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 1.4810 -8.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -0.0240 -7.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.1070 -6.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 1.7040 -5.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 2.2020 -4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 0.6970 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 0.8060 -8.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 2.1450 -9.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 4.4530 -9.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 6.0140 -8.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 5.1910 -7.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 1.2430 -7.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 0.4380 -5.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.7400 -7.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 51 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 52 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END