PUBCHEM-ZINC06308605 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.1550 0.0540 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -1.2700 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -1.3950 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -2.4110 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -2.9030 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -3.8450 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -3.8990 1.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -2.9910 1.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -4.6880 -1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -5.8790 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -6.6190 -2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -6.5420 -3.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -7.5150 -3.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8620 -8.8310 -2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -9.9100 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -10.1370 -4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -8.8690 -5.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -7.7200 -4.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -6.9130 -5.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -8.9180 -1.8650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -10.1710 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -10.0240 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -11.3000 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -12.2600 0.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -2.4370 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -2.9060 -2.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -1.2760 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -2.4260 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 0.0960 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 0.1750 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 0.9150 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -1.6520 2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -0.4370 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -5.0460 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -4.0610 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -5.5380 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -6.5820 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -10.8520 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -9.5690 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -10.4690 -4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -10.9350 -4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -9.0480 -6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -8.5750 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -6.9970 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -10.3930 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -10.9970 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -9.7480 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -9.2140 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -0.3510 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -1.3150 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -2.4230 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -3.4060 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -2.3360 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -11.2440 1.0910 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 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 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M CHG 1 54 -1 M END