IBS-ZINC05216169 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.2490 1.5530 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 0.0280 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -0.4970 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -1.8480 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -2.4240 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -3.7950 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -4.5970 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -4.0200 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -2.6480 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -5.9880 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -6.8170 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -8.1950 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -8.9880 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -8.4050 -0.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -7.0900 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -6.3050 -0.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -6.5210 -0.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -7.3580 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -5.0820 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -10.3650 -0.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -8.8040 -0.2410 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9930 -8.9670 -1.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -9.1420 0.8120 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5660 1.9540 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 1.9600 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 1.8330 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -0.2510 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -0.3780 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -1.8000 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -4.2440 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -4.6430 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -2.1980 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -6.3710 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 -7.3970 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -6.9340 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -8.3660 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -4.6170 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -4.9190 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -4.6420 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -10.7830 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -10.9110 -0.5510 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 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END