IFLAB-ZINC04167111 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8480 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -2.3970 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -3.7690 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.5960 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -4.0510 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.6790 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -6.0920 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -6.5830 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -5.7960 -2.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -7.8980 -1.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -8.3750 -3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -9.8950 -3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -10.3860 -4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -11.3360 -4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -11.6270 -6.6560 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -10.4040 -6.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 -9.9110 -5.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -10.0040 -7.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 -10.6130 -8.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -10.2380 -9.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 -9.2560 -9.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 -8.6480 -8.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -9.0220 -7.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 -8.8890 -10.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7480 -7.8740 -10.4950 C 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 -3.6390 -1.7520 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -4.1970 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.6980 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.2540 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -6.5600 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -6.3510 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -8.5280 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -7.9070 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -8.1160 -3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -10.3630 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -10.1540 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -11.8380 -4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -11.3760 -9.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 -10.7080 -10.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 -7.8850 -8.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 -8.5520 -6.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3360 -7.6760 -11.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4090 -8.2090 -9.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 -6.9610 -10.1860 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 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 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 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 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 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 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END