IBS-ZINC06764573 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.2600 1.5300 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 0.0590 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -0.5880 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.9740 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -2.7670 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -2.1100 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.7340 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -0.4030 -2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.6890 -3.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -1.6920 -3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -1.8230 -4.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -3.0900 -5.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -4.2440 -4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -5.4420 -5.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -5.4950 -6.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.3380 -7.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -3.1410 -6.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -6.7860 -7.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -7.8280 -7.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -6.6440 -8.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -7.8530 -9.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -2.7100 -2.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -4.2430 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -6.5490 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -7.2760 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -6.2730 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -4.9730 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.5830 2.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 2.0290 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 1.7180 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 1.9850 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -0.0040 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -0.9500 -5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -4.2230 -4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -6.3300 -5.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -4.3470 -8.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -2.2520 -6.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -8.2620 -9.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -7.6180 -10.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -8.5840 -8.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -4.5320 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -4.5480 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -6.7730 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -6.7490 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -8.2050 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -7.5330 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -6.2280 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -6.5120 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -4.0850 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -4.9160 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -1.9060 3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -5.0740 0.0620 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0750 -4.7210 -0.6800 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 33 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 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 52 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END