CHEMSTAR-ZINC04121842 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.4710 1.0840 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.4330 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.8190 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -2.3130 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -3.0010 -0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -2.8850 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -4.3410 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -4.8480 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -4.0890 1.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -2.6650 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -2.0690 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 -4.6300 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -4.0540 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8380 -4.5880 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 -5.7000 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 -6.2760 3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -5.7460 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3800 -6.2420 4.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 -6.8020 5.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 -6.7530 6.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 -7.4720 6.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5030 -8.0580 7.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5540 -8.6430 8.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5040 -9.3280 9.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6370 -9.8310 10.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8650 -9.6830 9.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9460 -9.0230 8.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7940 -8.4960 7.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5850 -7.6080 6.4780 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 -8.0940 8.4470 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 1.3590 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 1.5770 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 1.3970 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.7460 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.9260 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -0.5060 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -0.3260 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -4.5700 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -4.8190 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -5.9060 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -4.7110 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -2.1400 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -2.5590 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -1.0460 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 -2.0760 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 -3.1880 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8120 -4.1400 3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9460 -7.1400 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 -6.1960 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3330 -6.2130 4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -9.4530 10.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5830 -10.3510 11.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7570 -10.0880 10.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9030 -8.9100 8.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 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 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 M END