IBS-ZINC02128709 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -0.8350 2.5800 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 1.2740 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 0.6690 1.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3870 1.4200 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -0.4730 2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 0.1540 -0.3810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5020 -0.4900 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -0.7370 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 -0.2850 -1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -2.0860 -0.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 -3.1690 -1.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2180 -2.8600 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -3.5330 -2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -2.3960 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -2.9470 -5.3980 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -1.3850 -6.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -4.4750 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -4.4390 0.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 1.1540 -1.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 0.8250 -2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -0.2050 -2.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 1.7800 -3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.5260 -4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 2.4510 -5.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 3.6230 -5.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 3.8720 -4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 2.9430 -3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 3.1730 -2.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 4.0160 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 2.3130 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 2.6290 -0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 3.0110 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 2.4320 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 3.3130 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 0.5420 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 1.4690 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -0.1190 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -0.8610 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -1.3010 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -2.4490 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -3.8180 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -4.4150 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -2.0600 -3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -1.5530 -3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -0.6090 -5.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -1.5200 -7.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -1.0690 -5.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 0.6120 -4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 2.2600 -6.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 4.3420 -6.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 4.7870 -4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 -5.3840 -0.4990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 52 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 1 52 -1 M END