IBS-ZINC05052011 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.3050 1.4660 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 0.8500 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 2.9010 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 3.4800 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 4.8610 -0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 6.0620 -1.2750 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0200 6.0240 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 7.2350 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 6.7260 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 5.2540 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 4.5080 1.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 7.4500 1.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 8.6510 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 9.4180 -0.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 9.1480 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 8.2980 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 8.7650 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 10.0730 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 10.9250 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 10.4660 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 12.2100 -1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 12.6150 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 6.1750 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 6.5390 -3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 6.6430 -5.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 6.3820 -5.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 6.0180 -4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 5.9090 -2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 6.5130 -6.9120 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 0.4260 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 1.9680 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.9660 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 1.3900 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -0.1740 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 0.8400 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 3.4990 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 2.9190 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 3.4620 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 2.8820 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 6.9170 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 7.2770 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 8.1070 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 10.4330 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 11.1260 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 11.9960 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 13.6600 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 12.4990 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 6.7430 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 6.9280 -5.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 5.8140 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 5.6200 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.5160 -0.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END