IBS-ZINC04652080 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0550 1.3190 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0670 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -0.7140 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0650 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.4510 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 2.0880 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 3.5860 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 4.0980 1.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 5.4280 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 6.3880 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 7.7410 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 8.1460 2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 7.2120 3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 5.8630 2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 4.9060 3.8580 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4040 5.1140 4.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 3.9990 3.8300 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6600 9.8120 2.4190 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -2.2110 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -2.8410 0.5520 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0220 1.7920 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -0.6520 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -0.4170 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 2.0280 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 3.9620 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 3.8710 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 6.1180 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 8.4740 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 7.5280 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -2.7300 0.7110 O 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 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 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 19 20 1 0 0 0 0 19 30 2 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 20 -1 M END