IBS-ZINC04033987 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -0.7330 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -1.1590 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -1.1510 -3.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.7540 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -0.6360 -2.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -0.9520 -3.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -0.8410 -4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -1.1740 -5.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -1.6100 -6.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -1.9220 -7.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -1.8030 -8.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -1.3680 -7.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 -1.0600 -5.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 -1.2520 -7.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 -0.8000 -6.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8280 -2.1110 -9.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -2.5500 -10.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -1.4880 -3.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -1.3940 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -1.6870 -2.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.9840 -0.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -0.6500 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -0.2800 0.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.8990 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -1.9390 -4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -0.3330 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -0.5030 -3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.7040 -6.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -2.2590 -8.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -0.7280 -5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 0.1910 -6.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4770 -0.7520 -6.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -1.4940 -5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -3.4540 -9.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -2.7620 -11.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -1.7690 -10.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 -1.2040 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 0.1270 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 -1.5580 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -1.0790 -5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -2.6240 -4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -2.4520 -4.8050 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 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 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END