IBS-ZINC06660112 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5280 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0010 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5110 -0.3520 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5020 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -1.2120 2.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.1610 1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -0.5360 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 -0.0920 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -0.4700 4.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -1.2840 4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -1.6870 4.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -1.3060 3.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -0.5070 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -1.2850 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -1.5780 -1.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -1.7620 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -2.5680 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -2.9910 -1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 -2.6210 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -1.8250 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -1.3840 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -0.6000 1.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -0.1920 1.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9050 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8910 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8800 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 0.3440 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 0.5400 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 -0.1410 4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 -1.5970 5.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -2.3200 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -2.8590 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 -3.6160 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8550 -2.9610 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 -1.5440 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M END