PUBCHEM-ZINC05790553 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 4.0040 1.3870 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 0.0080 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -0.6760 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.0180 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.3970 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 2.0930 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 3.5710 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 4.1740 -0.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 4.2490 0.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 5.6480 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 6.3760 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 7.7510 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 8.4230 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 7.6960 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 6.3000 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 8.6020 0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 9.8030 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 9.7480 0.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 10.9310 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 12.1260 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 11.1030 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 13.5040 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 14.5510 -0.3690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7770 14.6020 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 15.9280 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 16.3370 -1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 15.4520 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 14.2080 -1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -2.1550 -0.0460 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9600 -2.7680 -0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -2.7600 0.7410 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6350 1.9200 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -0.5390 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.5220 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 1.9370 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 3.7690 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 5.8570 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 8.3080 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 5.7330 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.1280 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 10.7640 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 13.0460 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 12.0050 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 11.2610 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 11.0720 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 13.4420 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 13.7910 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 16.6460 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 15.8480 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 17.3950 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 16.1010 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 15.9010 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 15.2920 -3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 12.1960 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 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 36 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 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 54 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END