IBS-ZINC05501209 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 0.0000 1.4190 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.3120 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 3.1740 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 3.6900 -0.2610 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 2.8010 -0.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 5.3530 0.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8730 5.1430 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 6.3900 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 7.1620 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 8.0420 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 8.6820 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 8.4450 -3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 7.5640 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 6.9260 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 5.9510 -0.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3550 5.1750 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 6.7020 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 7.0890 1.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 3.9110 -1.5220 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3280 0.3730 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 2.0490 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.5140 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 1.8250 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 0.2330 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 1.5050 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 3.7850 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 3.3630 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 7.0590 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 5.9300 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 8.2240 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 9.3690 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 8.9510 -3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 7.3820 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.7350 0.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 6.8510 0.0300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 34 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 M CHG 1 19 -1 M CHG 1 35 -1 M END