IBS-ZINC06758218 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 0 0 0 0 0 0999 V2000 0.7860 1.4440 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.0490 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -0.8010 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -2.1270 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -2.3810 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -3.9260 1.5280 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -4.2760 2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -3.2320 2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -3.3410 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -4.3700 3.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -2.1970 2.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -2.2570 3.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -5.4940 2.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -6.5580 2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -6.7140 2.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -7.7190 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -7.6220 3.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -8.8250 3.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -9.9960 4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -10.7980 3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -12.6880 5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -12.3400 3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -1.4480 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -0.1280 0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.5680 -1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 1.6140 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 2.0070 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 1.8730 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -0.9230 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -0.2130 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -2.4560 4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -3.0210 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -1.2850 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -5.6120 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -8.7730 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -9.6570 5.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -10.6130 4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -11.4460 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -10.1350 3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -13.3240 4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -12.1570 6.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -13.2770 5.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -11.5590 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -13.0150 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -12.8880 4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -1.7760 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -1.3760 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -0.3750 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -1.6460 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.0860 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -11.6740 4.5290 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5720 -11.0480 5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 51 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 51 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END