IFLAB-ZINC02961295 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 1.1750 1.1690 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -0.3490 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -0.6550 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -1.9700 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -2.3380 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -3.6760 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -4.6460 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -4.2810 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -2.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -6.1040 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -6.6120 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -5.8640 -2.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -7.8980 -1.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -8.3420 -2.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -9.6430 -3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -10.0840 -4.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -9.2220 -5.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -7.9160 -5.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -7.4830 -3.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -9.6910 -6.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -8.9750 -7.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -9.5440 -9.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -8.9860 -10.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -9.7690 -11.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -11.0780 -11.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -11.5840 -10.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -10.8740 -9.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -11.3020 -7.5700 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 1.4020 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 1.5790 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 1.6070 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -0.7870 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -0.7600 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -1.5810 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -3.9630 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -5.0410 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -2.6610 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -6.6720 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -6.2220 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -8.5150 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -10.3090 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -11.0940 -4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 -7.2470 -6.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -6.4740 -3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -7.9640 -10.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -9.3660 -12.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -11.6910 -12.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M END