IBS-ZINC02119624 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3610 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 1.2260 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 0.0420 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.4270 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0830 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 3.4400 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 4.0550 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 5.5540 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 6.0470 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 6.3470 0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 7.8040 0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0460 8.0730 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 8.4450 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 8.0410 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 8.6830 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 8.2960 4.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 8.7460 4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 9.4730 4.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 8.3910 6.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 8.2980 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 7.5140 -2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -0.6190 -0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -1.9590 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -2.5090 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -2.7500 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -2.1460 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -3.1810 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -4.4970 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 -4.2540 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.8840 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 1.9940 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 3.7530 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 3.7430 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 5.9530 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 9.5300 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 8.1040 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 6.9570 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 8.3820 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 9.7680 2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 8.3420 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 7.7170 4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 7.8110 6.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 8.7150 6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -2.9080 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -3.2820 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -4.6370 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -5.3490 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -4.6500 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -4.7160 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 9.6090 -1.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 9.8790 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 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 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 M END