NCID-ZINC04962416 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2030 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0350 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4330 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0950 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -0.6800 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -1.8920 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 0.0960 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -0.8790 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 0.0540 -0.0690 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9780 -1.2520 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3700 -0.6180 -0.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4490 0.0730 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 -1.6970 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2520 -1.8440 0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 -2.4990 -1.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4260 -3.5490 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2060 -4.2970 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2960 -3.9860 -3.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5840 0.1100 1.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4620 1.1320 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0740 1.4490 0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6820 1.8800 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7190 2.9820 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9430 3.7420 3.5790 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9880 4.1130 3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8710 4.9040 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0410 4.8140 3.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7610 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9930 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 0.7270 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 0.7190 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 -1.5110 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -1.5020 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 -1.8740 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8520 -1.8660 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7410 -2.3820 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4180 -3.0970 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3470 -4.2400 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0940 -0.1440 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7420 2.3260 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0410 1.1900 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6590 2.5370 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 3.6720 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4270 2.4840 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0210 -5.3100 -3.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3980 6.0390 2.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5400 2.8410 4.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6380 3.3010 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0310 6.7560 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8400 -5.7600 -3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 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 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 49 52 1 0 0 0 0 50 55 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 M END