IBS-ZINC02103739 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 0.7630 2.0120 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 0.6260 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -0.4140 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.8160 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -1.1860 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.2150 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -3.6120 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -4.1180 1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -3.4880 2.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -5.2520 1.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -6.0080 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -7.4060 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -7.9740 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -9.3330 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -10.4040 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -11.6500 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -11.8370 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -10.7910 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -9.5500 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -8.3630 -0.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -8.2360 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -7.1830 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -5.6760 2.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7110 -5.1180 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 -5.2450 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -4.5410 0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0390 -5.6960 1.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 -5.3270 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 2.3170 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 2.7590 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 2.0290 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 0.6740 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -0.1510 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -0.4080 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -1.8980 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -2.5510 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -1.4980 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -1.2480 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 0.2560 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 0.9250 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -4.2170 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -3.6390 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -5.4980 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -5.9870 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -10.2680 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -12.4790 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -12.8130 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -10.9390 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -7.5170 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -7.3670 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2840 -5.7250 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 -5.7620 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 -4.2380 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -2.1610 1.3470 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4950 -2.1110 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 54 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 7 54 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 23 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END