PUBCHEM-ZINC03736735 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 1.2540 1.3670 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 0.0020 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.8590 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.1430 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.5950 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -1.7320 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.4300 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 0.4410 -2.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1230 1.4680 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 0.5190 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 0.4440 -4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 0.5880 -4.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 0.5900 -5.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 0.7660 -4.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 0.9390 -3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 0.9400 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 0.7630 -2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 0.7230 -2.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 0.8270 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 0.2340 -5.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 0.5830 -4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -3.9850 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -3.9060 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -4.8370 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -3.0200 2.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -2.5740 3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.5120 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 2.1430 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 1.4980 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.4980 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -2.0830 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 0.4570 -6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 0.7680 -5.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1320 1.0750 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 1.0760 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -0.8170 -5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 0.8460 -6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.2000 -5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 1.6620 -4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -4.5190 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -3.4580 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -4.9070 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -3.3060 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -5.8570 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -4.4320 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -4.8990 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -3.3870 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -2.3580 3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -1.7090 3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.0470 -3.2610 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7090 0.1140 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -1.0650 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 50 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 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END