IBS-ZINC05477962 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -1.9820 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 -2.6380 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -4.1590 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -4.5420 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -3.9620 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -5.9210 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 -6.6800 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 -8.0690 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -8.6050 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 -9.8920 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4150 -10.0820 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2710 -8.9950 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7650 -7.7120 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3900 -7.5030 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 -6.3580 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 -5.4590 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6130 -9.1970 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0710 -10.5460 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -8.6140 -0.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -7.8600 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -6.5470 -0.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -2.2800 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -0.8970 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 -2.3530 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6070 -2.3090 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -4.4890 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 -4.6290 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -4.2880 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -4.2930 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -10.7400 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8210 -11.0800 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4350 -6.8730 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1590 -10.5660 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7550 -10.9650 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6500 -11.1370 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -8.3300 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 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 8 1 0 0 0 0 6 12 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 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 28 2 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 26 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 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 M END