IBS-ZINC05248662 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 0.5970 -1.7140 4.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -2.1410 2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -1.8530 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.2430 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -2.9140 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -3.2170 1.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -2.8590 2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -3.2530 3.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -3.9150 2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -3.8650 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -4.3620 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -4.9120 -0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 -4.0970 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -5.0070 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 -4.3240 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 -4.8820 -0.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -3.0090 -0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 -2.7380 0.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9890 -2.4490 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -1.6610 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -0.6500 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 0.3380 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 0.3290 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -0.6690 -2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -1.6600 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4920 -2.0190 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -1.9490 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9460 -1.2970 2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0470 0.3540 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -6.3320 -0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -4.5670 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -1.1820 4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -1.0470 4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -2.5890 5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -1.3150 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 -1.9840 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -3.2300 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -0.6250 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 1.1120 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 1.0960 -2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -0.6800 -4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -2.4330 -2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 -1.0500 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3080 -2.3100 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2850 -2.9540 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 -1.5290 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2690 -0.9460 3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1700 -2.3600 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8770 -0.7220 2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7120 0.4580 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2980 0.7340 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9990 0.8780 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 -6.6810 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -3.9030 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -5.5000 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -4.8090 4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2750 -1.1060 1.5010 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.9410 -1.4560 0.7980 H 0 0 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 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 57 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 57 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 57 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END