PUBCHEM-ZINC05273564 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 -0.5380 -2.1560 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -1.3320 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -1.2460 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 0.0770 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.0050 -1.3610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7500 -0.6860 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -0.4810 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 0.3110 -1.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -1.7960 -1.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -2.2600 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 -1.4860 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5770 -1.9470 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8930 -3.1770 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9090 -3.9500 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -3.4930 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2890 -3.6680 -0.8690 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.1570 -2.9880 -0.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5690 -4.7520 -1.3490 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3070 1.3360 -1.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 1.7390 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 0.9680 -2.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 3.1470 -3.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0800 3.3220 -3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 4.1360 -2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 5.5430 -2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 6.1320 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 7.4220 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 8.1240 -3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 7.5360 -3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 6.2470 -2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 3.3350 -4.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 4.2760 -4.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 4.9660 -5.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 4.4690 -5.7940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7700 3.5040 -6.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 5.3360 -5.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 6.1530 -6.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 6.1700 -7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 6.9290 -8.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 5.2200 -7.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -3.1260 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.3000 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -1.6290 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -1.8090 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.7680 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -0.6590 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -2.2500 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 0.6980 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 0.5120 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -2.4220 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 -0.5250 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3480 -1.3450 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1590 -4.9110 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -4.0950 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 1.9270 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 3.9380 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 4.0220 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 5.5830 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 7.8810 -3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 9.1320 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 8.0840 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 5.7890 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 2.7830 -3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 5.9900 -4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 4.7120 -4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 7.1670 -5.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 5.6610 -6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 5.0530 -7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 52 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 15 54 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 55 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 24 1 0 0 0 0 22 31 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 29 2 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 68 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END