IBS-ZINC04755996 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -3.4190 -0.4380 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -1.4160 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -1.5060 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -2.3980 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -3.2130 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -3.1160 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -2.2220 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -4.1670 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -4.2480 0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -5.0430 -1.6820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1680 -5.5920 -1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -7.0750 -1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -7.8440 -2.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -7.4490 -1.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -6.2920 -1.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8830 -6.3420 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -6.2540 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -6.5010 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -6.4660 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -6.1850 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -5.9370 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -5.9680 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -6.1490 3.9350 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4300 -6.3670 4.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -5.9010 4.1210 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3870 -8.8410 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -9.3090 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -11.5420 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -11.1770 1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -4.9540 -2.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 0.5180 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -0.8270 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -0.2990 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.8770 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.4670 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -3.7410 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -2.1490 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -6.7210 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -6.6600 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -5.7180 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -5.7700 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -8.9140 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -9.4700 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -9.1400 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -8.7500 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -11.3720 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -11.2470 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -12.5980 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -10.6170 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -10.9940 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -12.2410 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.4860 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -10.7420 0.1280 N 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 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 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 30 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 53 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 53 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END