IBS-ZINC05072427 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0200 1.5030 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -0.6770 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -2.0580 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -2.0930 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.7110 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -2.9800 0.7730 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1710 -0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -4.8450 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -4.2410 -2.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -6.3490 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -6.9540 -2.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -8.6880 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -9.6020 -3.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -9.3430 -4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -10.4460 -5.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -11.8900 -4.4840 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -10.9590 -3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -11.3440 -1.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -10.4610 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -9.1630 -1.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -10.4530 -6.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -9.0450 -7.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -8.0360 -6.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -7.9390 -5.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -2.7900 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 1.8660 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 1.8530 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 1.8790 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -0.1220 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -0.1820 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -4.6560 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -6.7660 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -6.6570 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -10.8080 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -10.7460 -7.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -11.1560 -7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -8.9890 -8.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -8.8180 -6.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -8.3700 -7.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -7.0600 -7.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -7.4580 -4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -7.3560 -5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -2.9660 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -3.7440 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -2.1880 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END