IFLAB-ZINC04159469 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.1680 -0.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7120 1.5740 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 3.3860 -0.0160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2290 -2.1860 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.6890 -1.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0380 -2.2410 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -4.1970 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -4.8120 -1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -4.7880 -2.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -4.0420 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -4.5060 -3.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -3.6900 -3.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -4.1510 -4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -5.5920 -4.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 -6.2040 -4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -7.5880 -4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -7.7560 -4.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -6.5490 -3.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -2.3330 -2.2610 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -2.5390 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.5630 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -5.7550 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 -3.4670 -4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -5.7200 -5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 -8.3690 -5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -8.7050 -4.0320 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END