IFLAB-ZINC02694968 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.2190 -0.6670 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 0.0010 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.3280 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 2.0600 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 2.0370 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 3.2520 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 1.3350 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 1.9980 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 3.2780 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 3.7760 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8490 5.1260 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1830 5.4430 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1470 4.4450 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7670 3.1220 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4160 2.7800 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6160 1.2110 -0.0530 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8570 4.8710 -0.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5430 3.7580 -0.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9390 6.1840 -0.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3470 4.9800 1.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8740 3.8030 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2440 4.1530 2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1130 5.4020 3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6400 6.5790 2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2690 6.2580 2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9220 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5620 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -1.7470 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 3.1390 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 0.3650 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 5.9130 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4870 6.4800 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5180 2.3460 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1920 3.5200 3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 2.9750 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6030 3.3210 3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9490 4.3480 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3890 5.2150 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0810 5.6390 4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5700 7.4740 3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3510 6.7510 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9750 7.0490 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5370 6.1800 3.0250 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 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 32 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 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 35 1 0 0 0 0 17 18 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 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END