IFLAB-ZINC03864860 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.3460 1.4970 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 1.0050 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 0.4660 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 0.4190 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 0.9100 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 1.4490 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -0.1310 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 0.5950 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 -0.0300 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 -1.2360 0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 0.9390 -0.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 2.2500 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9390 3.6350 -0.5850 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 2.2980 0.1950 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8920 0.5180 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0560 0.1840 -2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4890 -0.2410 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6540 -0.5750 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0880 -0.9920 -4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2870 -1.3280 -5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 -1.2800 -6.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5970 -1.6790 -5.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2070 -2.0570 -7.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5140 -2.1330 -8.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1780 -2.5130 -9.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5360 -2.8200 -9.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2370 -2.7470 -8.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5880 -2.3660 -7.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3660 -2.2920 -5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6950 -1.9360 -4.6950 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6360 1.9200 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 1.0450 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 0.0910 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 0.8820 3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 1.8320 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -1.2140 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5950 1.3050 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1310 -0.3670 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 -0.6200 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7830 1.0540 -2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1800 0.5670 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7580 -1.1150 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9640 -1.3830 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 0.2960 -4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7790 -0.1810 -3.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3620 -1.8740 -3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2830 -1.6820 -5.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4560 -1.9020 -8.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6310 -2.5700 -10.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0510 -3.1150 -10.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2990 -2.9880 -8.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6010 -2.5820 -5.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 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 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 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 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 52 2 0 0 0 0 M CHG 1 30 -1 M END