IBS-ZINC05488502 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.1520 1.5000 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.0070 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.7110 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -2.0920 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -2.7730 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -2.0630 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -0.6820 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 0.0890 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -4.1740 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -4.8370 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -4.2340 2.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -6.3100 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -7.0560 2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -8.3990 2.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -9.1630 3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -8.5410 4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -9.2920 5.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -10.6660 5.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -11.3010 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -10.5430 3.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -12.7720 4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -13.3220 3.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -13.5020 5.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -14.9410 5.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -6.9530 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -8.1650 -0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -6.1620 -1.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -4.8260 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -4.1690 -2.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.8720 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.8700 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 1.8490 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.1800 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -2.6410 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -2.5910 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 0.2830 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -0.4940 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 1.0350 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -6.5640 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -8.8330 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -7.4660 4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -8.8020 6.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -11.2490 6.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -11.0290 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -15.1750 4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -15.4070 6.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -15.3210 4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -6.5690 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 M END