IBS-ZINC03999017 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 0.1060 1.2030 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -0.1890 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.8000 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -0.0260 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.3620 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 1.9990 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 3.3560 -0.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 4.3110 -0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1550 3.9270 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 5.6370 -0.7870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4170 5.7740 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 6.6980 0.2540 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4890 7.5660 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 5.9290 1.5570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9180 5.8260 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 4.5980 1.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 6.4830 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 5.6610 3.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 4.7410 3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 7.1540 0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 7.7840 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 5.7000 -1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 5.1980 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -0.6740 1.2350 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5420 -1.8700 1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 0.0140 1.3150 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1370 -1.0040 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -0.4170 -0.8900 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8030 1.6710 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -1.8770 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 1.9520 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 3.7520 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 6.4600 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 7.5060 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -2.2230 0.0440 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 27 35 2 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 28 -1 M END