IBS-ZINC06664720 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 -0.0050 1.3880 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 1.6400 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 0.9720 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.0380 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -0.2100 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 0.4660 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -0.6800 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -2.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 0.0260 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 1.4220 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 1.7310 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 2.8490 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 0.5930 -0.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 -0.5470 -0.2850 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3330 -1.1490 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 -1.3890 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 -2.7720 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8390 -3.5050 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 -2.8380 3.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 -1.5210 3.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -0.7920 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 0.5050 -0.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9460 -0.5400 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0810 1.2210 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6100 1.4110 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0290 1.5000 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8430 0.3890 0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4560 2.8180 0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 1.2340 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 2.2380 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 1.9180 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 2.3610 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 1.1690 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -0.9300 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 0.2750 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 -3.2660 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 -4.5840 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 -3.4020 4.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 0.2850 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8110 0.6170 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 2.1930 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1110 0.5620 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8910 2.3370 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 2.1870 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 0.6050 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6020 -2.4110 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 30 2 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 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 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 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END