IBS-ZINC05176948 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 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 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.7500 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -2.2020 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -0.7010 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -0.4600 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.6520 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.1130 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -1.3550 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -1.1350 2.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -1.8150 3.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -2.0670 4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -2.5640 5.6730 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4010 -3.4290 5.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -2.9180 6.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 -2.4670 8.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 -1.8920 7.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 -1.5080 6.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 -1.3400 0.9940 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9600 -0.4380 1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 -2.4280 0.6650 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7150 -0.3970 -1.2560 N 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 -1.0200 -0.3810 0.0100 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 0.6260 -0.5790 3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -0.0820 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -2.3960 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -2.3730 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -2.8710 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 -1.9690 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -1.1440 4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -2.8240 4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -2.3710 6.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -3.9920 6.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -1.6960 8.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -3.3170 8.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 -1.0230 7.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 -2.6550 7.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -0.0770 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -0.5400 -1.3100 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 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END