OTAVA-ZINC05332817 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8110 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -2.6690 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -4.0370 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5540 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -3.7050 -2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -2.3310 -2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -1.4690 -3.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -2.0170 -4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -0.8880 -5.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 0.2620 -5.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1560 -6.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -0.1170 -7.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -0.2790 -8.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 0.9770 -9.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 2.0380 -8.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 1.5360 -7.1020 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 3.4790 -8.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 3.5160 -10.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 2.4920 -11.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 1.0810 -10.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -1.5890 -9.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -2.1440 -9.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3380 -2.1810 -8.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 -3.4790 -9.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 -3.9880 -9.0180 C 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -2.2690 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -4.7040 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -5.6230 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -4.1110 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -0.5080 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 -2.6210 -4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 -2.6380 -5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -2.0750 -6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 3.8890 -9.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3150 4.0660 -8.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 4.5130 -10.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0390 3.2680 -9.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 2.6240 -11.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3860 2.6350 -12.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 0.8910 -10.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 0.3510 -11.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -4.1820 -9.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 -3.3870 -10.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 -4.9620 -9.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7380 -3.2840 -9.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9680 -4.0790 -7.9310 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END