CHEMDIV-ZINC00459417 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 1.9540 1.0150 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -0.2670 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -1.1990 1.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -2.4300 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -3.3050 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -4.5960 2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -5.0350 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -4.1580 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -2.8630 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -6.3530 0.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -7.0050 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -6.5130 -1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -8.4930 -0.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5230 -8.7890 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -9.2940 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -10.7780 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -11.3050 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -12.6750 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -13.5300 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -13.0160 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -11.6460 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -8.7730 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -8.7240 1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -7.8190 2.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 1.7660 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 1.4240 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 0.8220 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.0480 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -0.6630 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.9840 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -5.2590 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.4530 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -2.2240 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -6.9070 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -8.9300 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -9.1180 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -10.6480 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -13.0750 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -14.5950 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -13.6780 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -11.2600 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -8.0460 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -9.7610 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -9.5760 2.5960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 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 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 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 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 M CHG 1 44 -1 M END