IBS-ZINC02355461 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.1740 1.8780 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 0.4250 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -0.1870 0.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1660 0.4580 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -1.5690 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -0.3200 -1.2710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2870 -0.8880 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -1.0370 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -0.4300 -1.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -2.3530 -0.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -2.8210 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -3.0760 -1.0970 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2270 -2.6740 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -4.5390 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -5.2510 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 -6.5930 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -7.2210 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -6.5080 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -5.1660 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -2.9150 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 -2.2630 1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.0130 -1.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 1.3140 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 0.4970 -3.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 2.6690 -3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 3.0750 -4.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 4.3540 -5.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 5.2380 -4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 4.8570 -3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 3.5650 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 3.1540 -1.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 1.9690 -1.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 2.3690 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 1.9010 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 2.3990 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -0.1420 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 0.3940 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -1.4730 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -2.0090 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -2.2100 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -4.7600 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -7.1500 -3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -8.2690 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -7.0000 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -4.6080 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 2.3920 -5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 4.6710 -6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 6.2370 -4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 5.5530 -2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 -3.4960 0.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1120 -3.3650 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 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 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 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 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 50 51 1 0 0 0 0 M END