CHEMDIV-ZINC03646784 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -2.1430 0.7080 1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -0.7480 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -0.9970 2.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -2.2710 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -3.1830 1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -2.4500 2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -1.3520 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -1.5180 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -2.7780 4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -3.8770 3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -3.7330 3.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -4.8270 2.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -6.1620 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -6.6460 3.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -6.9910 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -8.5080 1.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8970 -8.7920 2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -8.9050 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -9.2520 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -10.7350 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -10.9720 2.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 1.3640 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 0.9470 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 0.9310 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 -1.3930 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -0.9520 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.3560 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.6660 4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -2.9120 5.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -4.8390 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -4.5780 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -6.7690 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -6.6360 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -8.3900 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -9.9800 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -8.6600 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -8.8340 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -9.1320 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -11.5330 0.3670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 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 2 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 39 -1 M END