IBS-ZINC02098022 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.5060 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -0.7050 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -1.6380 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -2.1150 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -3.2700 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -3.9620 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -3.4780 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -2.3200 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -5.2000 -2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -5.6200 -2.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -5.8660 -3.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -7.0960 -4.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5370 -7.0120 -4.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -7.3090 -5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -6.2000 -6.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -6.2320 -7.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -5.0440 -8.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -4.8300 -8.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -4.1960 -7.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -4.8810 -6.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -4.2560 -5.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -2.9790 -5.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.2980 -6.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -2.8980 -7.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -8.2670 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -8.0920 -2.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -9.5040 -3.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -10.5840 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 1.8870 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 2.0080 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 1.6960 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -0.1900 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.5140 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -1.7780 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.3240 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -1.5800 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -3.6410 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -4.0100 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -1.9430 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -5.5320 -3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -7.3040 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -8.2670 -5.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -7.0730 -7.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -4.7800 -4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -2.4970 -4.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -1.2900 -6.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.3590 -8.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -10.6350 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -10.3990 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -11.5270 -3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END