IBS-ZINC05091517 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 1.7200 0.2090 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -1.2540 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -1.9070 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -3.2500 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -3.9400 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -3.2870 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -1.9430 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -5.4040 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -5.5520 -0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -5.6470 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -5.6260 -2.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -5.7770 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 -5.9020 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -5.7490 -2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -4.8560 -3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 -5.0150 -4.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -4.4940 -5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -6.0220 -5.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -6.5320 -3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -7.5730 -3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5090 -8.1030 -4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -7.6040 -6.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -6.5680 -6.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -5.7500 0.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -5.6180 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -5.5650 2.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 0.3180 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 0.6700 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 0.6980 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -1.3680 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -3.7600 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -3.8260 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.4320 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -5.8920 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -5.8650 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 -6.1140 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -4.1340 -3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 -7.9640 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -8.9110 -4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 -8.0270 -7.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -6.1870 -7.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -5.8180 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 25 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 24 1 0 0 0 0 13 14 1 0 0 0 0 13 36 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 37 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 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 M END