IBS-ZINC00544277 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0140 1.4910 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 0.0280 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.3900 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -1.7260 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -2.6610 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -2.2880 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -0.9180 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -0.4550 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -3.2790 -1.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -4.1190 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -4.3860 -3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -3.8790 -3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -3.5940 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -5.3500 -5.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -6.4920 -5.6250 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3210 -6.0750 -5.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -7.3570 -6.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -8.4700 -6.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -8.9730 -8.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -9.7890 -8.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -8.2060 -8.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -7.1830 -8.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -6.2480 -8.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -6.3700 -9.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -7.4020 -10.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -8.3420 -10.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -7.2290 -4.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 1.9580 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 1.6230 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 2.0220 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 0.3280 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -2.0430 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -3.7070 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 0.5430 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -1.1040 -3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4360 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -3.6520 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -5.0710 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -3.4740 -4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -5.1560 -4.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -4.2980 -4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -2.9740 -4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -4.4810 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -2.7920 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -5.7200 -5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -4.4970 -6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -8.9500 -6.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -5.4370 -8.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -5.6530 -10.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -7.4810 -11.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -9.1460 -10.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -8.0410 -4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.8850 -4.1210 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3640 -5.7680 -3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 53 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END