PUBCHEM-ZINC04684290 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.0910 1.6800 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.1570 -0.4610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5960 -0.2900 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.2450 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.7690 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -2.2630 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -1.8620 -0.2950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4190 -2.2140 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.3380 -0.4330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8920 0.1090 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 0.0640 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.4620 -1.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -3.7680 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -4.4540 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -5.7430 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -6.3540 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -5.6690 -3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -4.3780 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -3.6450 -3.4880 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0640 -3.7900 -4.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -2.8980 -2.8330 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8980 -7.6650 -3.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -7.9570 -4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -7.1520 -5.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -9.4520 -4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -9.9780 -2.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2980 -10.6600 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -8.7260 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -8.6900 -1.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -10.6700 -2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 2.0330 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 1.9670 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 2.1270 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 0.1080 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.2020 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -2.2160 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -2.0550 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -3.3490 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -1.8160 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -0.3830 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -0.2890 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 1.1490 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -1.9540 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -3.9790 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -6.2770 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -6.1450 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -9.6810 -4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -9.8720 -5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -11.5090 -2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -11.0340 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -9.9590 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 46 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 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 28 29 2 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END