IFLAB-ZINC04519611 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -1.1280 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -1.4010 3.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -1.2730 4.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.7580 5.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -1.8290 7.1000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9630 -2.5110 6.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -2.3280 8.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -3.4340 9.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -3.6930 10.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -2.7970 10.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -1.5460 9.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -0.1770 7.4300 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 0.7130 7.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 0.1880 6.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -0.3810 8.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -0.2070 10.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.3660 11.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -0.7010 11.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 -0.8750 9.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -0.7090 8.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -0.9020 12.6030 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -1.0550 4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -2.7510 5.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -1.0760 6.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -4.0790 8.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -4.5550 10.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -2.8350 11.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 0.0540 10.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -0.2310 12.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -1.1360 9.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -0.8410 7.8080 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 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 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 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END