IFLAB-ZINC04176385 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -0.0260 1.5280 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.0020 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -0.4970 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -1.8470 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -2.3960 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -3.7680 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -4.5940 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -4.0490 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -2.6770 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -6.0910 -0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0180 -6.6420 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -7.8290 1.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -8.9580 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -9.8140 2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -10.1990 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -8.7110 -0.1620 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -7.6850 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -6.7490 -0.6130 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2470 -6.4000 -1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -7.1240 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -6.4960 -3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -7.1600 -4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -8.4520 -5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -9.0790 -4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -8.4140 -3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -6.4540 -0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.9060 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8850 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 1.8840 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -0.3570 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -0.3580 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -1.7520 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -4.1970 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -4.6960 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -2.2520 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -5.9160 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -6.9270 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -8.5770 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -9.5840 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -9.2620 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -10.7230 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -10.9490 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -10.5960 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -5.3240 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -6.6920 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -5.4870 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -6.6700 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -8.9710 -5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -10.0890 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -8.9030 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -6.0750 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 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 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 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 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 M CHG 1 18 1 M END