PUBCHEM-ZINC05633053 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -1.9160 1.8800 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 0.4440 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 0.4590 -2.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -0.3540 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -1.8260 -0.7800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4670 -1.9050 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -2.4110 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -3.2160 0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -2.0410 -1.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -2.5550 -1.7140 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8680 -2.6620 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -1.5790 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -0.2640 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 0.7590 -2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -0.5060 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -3.8980 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -4.3750 -2.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -2.5600 0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -2.5280 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -1.8170 -0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -3.3560 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -3.3240 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -4.1000 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -4.9080 2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -4.9440 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -4.1680 1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -5.7370 3.5370 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7200 -5.7080 3.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -6.4500 4.3740 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4300 2.4480 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 1.8700 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 2.3440 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -0.0190 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -0.5660 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 0.9630 -3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 0.9880 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 0.0370 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -0.2640 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -1.4330 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 -1.3900 -3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4670 -2.0110 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 0.1160 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 1.7220 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 0.8660 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3800 0.4190 -2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 -1.2350 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2600 0.4320 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 -0.8860 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -3.0700 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 -2.6940 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -4.0760 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -5.5770 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -4.1940 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 -4.5620 -2.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -5.4200 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 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 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 54 1 0 0 0 0 18 19 1 0 0 0 0 18 49 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 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 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 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END