IFLAB-ZINC04302966 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0810 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0680 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -5.0390 -1.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9540 -5.3890 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -4.6800 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -6.3560 -3.2220 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -6.4540 -3.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -6.6800 -4.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -7.2970 -1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -6.2070 -0.6050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9380 -5.8150 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -6.2900 0.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -5.0040 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -4.6420 2.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -7.4360 1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -7.3380 2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -8.4710 3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -9.7020 3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -9.8030 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -8.6750 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -10.9140 3.9220 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5990 -10.8270 5.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -12.0000 3.4860 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6250 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6020 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -4.0500 -3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -4.2060 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -7.9060 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -7.9150 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -6.3760 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -8.3950 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -10.7660 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -8.7550 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 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 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END