PUBCHEM-ZINC05138781 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 -4.7480 -0.9220 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -2.0040 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -1.3450 1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -2.4260 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -1.7650 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -0.5730 0.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 0.7340 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 1.1800 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 2.4730 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 3.3250 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 2.8850 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 1.5900 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.1180 2.7810 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2280 1.1780 2.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.6700 3.8540 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9390 3.8170 2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 3.6980 4.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 4.7360 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 0.2690 -1.1680 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5830 0.6940 -2.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -0.9060 -1.1590 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7170 -1.3910 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -0.3260 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -0.2780 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -2.6480 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -2.6000 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -0.6800 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -3.0300 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -3.0620 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -2.5320 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -1.0820 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -1.2100 3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -1.0280 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 2.8200 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 3.5550 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 4.8430 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 4.2710 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 4.7620 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 5.3860 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 5.0810 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 19 1 M CHG 1 21 -1 M END