IFLAB-ZINC00937599 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3680 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 1.2280 -0.7020 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 0.0380 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 3.8520 0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 4.2860 -0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 4.2260 -0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 4.3340 1.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 4.6120 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 5.0010 3.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 4.3730 3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 4.5610 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -1.0850 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -2.4480 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.0330 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -3.7780 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -4.7480 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -4.4540 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -6.1720 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.1930 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -8.5070 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -8.8030 -0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 -7.8720 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -6.5320 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.8900 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 1.9940 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 3.7210 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 5.4360 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 4.5710 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 6.0850 3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 3.3170 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 4.9170 4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 5.5730 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 3.8280 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -4.0130 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -6.9580 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -9.3030 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -8.1600 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -5.7740 -0.0820 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END