IBS-ZINC02199988 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 0 0 0 0 0 0999 V2000 0.1670 1.0600 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.0630 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.2070 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -0.5690 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -0.4980 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -0.9600 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -1.5000 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -1.5690 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -1.1080 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 -1.9970 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 -2.6060 -0.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1890 -1.7730 1.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5330 -2.3650 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5360 -1.2530 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8000 0.1230 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7300 -0.9360 2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 0.4190 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7460 0.9550 4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7630 1.9120 4.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 2.5170 6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6920 2.2690 6.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6720 3.4850 6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5420 4.1070 7.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5120 5.0110 8.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5780 5.2610 7.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6440 4.6060 6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7060 3.7570 5.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 1.4260 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.8760 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 0.6790 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 0.3180 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -1.5880 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -2.0070 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -0.8410 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -0.0790 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -0.9040 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9860 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -1.1640 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 -2.8210 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5560 -3.1190 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5880 -0.5540 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5210 -1.6890 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 0.6820 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8720 0.8050 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 -1.5560 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -0.4470 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0880 -0.0790 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1720 1.2450 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6930 0.1280 5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7780 1.4520 4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5230 2.1110 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6980 3.8880 8.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4390 5.5080 9.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3510 5.9590 7.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4730 4.7980 5.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0990 -0.5410 2.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 56 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 M END