IBS-ZINC04005481 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.8390 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.5680 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -2.3980 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -3.7540 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -3.8550 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -4.9280 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8070 -4.6480 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 -3.3260 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 -2.3300 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -2.5380 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -1.6810 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -0.2190 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7980 -5.7480 0.0480 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4220 -6.9060 0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9890 -5.4940 0.0620 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2050 -4.7860 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -5.2860 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -6.3200 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -6.8680 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -6.8810 2.3690 C 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -5.9480 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2860 -3.1100 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 0.1540 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 0.0800 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 0.1970 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -4.8830 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -6.3320 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -7.9250 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -6.7530 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -7.6920 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -7.2660 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -6.1040 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END