IBS-ZINC04862786 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.2270 1.6000 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 0.1470 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -0.5390 1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -1.8660 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -2.4780 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -2.4790 2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -4.0080 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -4.6390 3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -2.6710 4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.0290 3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -4.8890 5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -6.2140 5.9920 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1390 -6.9580 5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -6.7410 7.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -6.4100 8.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -7.1050 9.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -7.0560 10.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 -7.8850 8.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -7.6800 7.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 -8.3760 6.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 -9.2430 7.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 -9.4250 8.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -8.7490 9.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -5.9410 5.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 1.6830 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 2.1660 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 2.0580 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 0.0770 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -0.3050 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -2.1310 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -4.3900 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -4.3230 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -5.7290 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 -4.3560 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -2.3580 4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -2.4220 5.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.9380 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -2.2800 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -4.2310 6.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -5.0210 5.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -5.7380 8.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -8.2530 5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 -9.7830 6.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 -10.1040 9.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -8.8960 10.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -6.7200 6.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -4.1680 4.5870 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8350 -4.4890 4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 47 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END