IBS-ZINC04090404 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -1.1720 -0.2070 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -1.3280 -0.1830 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6650 -2.3030 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -1.1990 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.9300 -0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -1.2520 1.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.5610 2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -1.9580 2.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -1.4240 3.6200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1190 -0.5700 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -2.7440 3.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -2.5740 4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -2.7010 6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -2.5430 6.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -2.2560 6.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 -2.1240 4.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -2.2810 3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -1.1310 4.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -0.3220 5.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 0.0630 6.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 0.0360 6.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -0.0800 5.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 0.7550 6.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 0.8840 5.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 1.2670 7.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 1.1430 8.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 0.5470 7.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 0.4640 8.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 0.9720 9.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 1.5730 10.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 1.6590 9.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 0.7760 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -0.2720 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -0.2460 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -0.9530 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -3.4570 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.2380 2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -2.9120 6.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 -2.6380 7.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -2.1330 6.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -1.8980 4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -2.1750 2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -1.5750 4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 0.1830 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -1.1320 5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 1.7590 7.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -0.0130 8.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 0.8950 10.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 1.9700 11.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 2.1280 9.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.3830 -2.4160 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 51 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 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 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 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 46 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 M CHG 1 51 -1 M END