PUBCHEM-ZINC06031762 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -2.3860 -1.1110 -2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -1.8590 -1.4590 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3460 -2.9300 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -1.6680 0.0710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9830 -2.6490 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -0.8090 1.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2110 -1.4580 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.1790 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 0.5800 2.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -0.7180 0.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.6980 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -1.3610 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.5920 -3.4140 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -2.3380 -3.0630 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4320 -2.7490 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -3.4360 -4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -2.6820 -5.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2960 -2.3040 -5.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -1.3390 -3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -3.4680 -6.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7900 -4.5040 -6.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -2.8120 -7.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -3.5850 -8.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 -3.6010 -10.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 -3.4650 -5.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 -4.2650 -5.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 0.0930 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 1.3270 -1.0350 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0790 0.1760 0.9600 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9430 -0.3650 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 0.8820 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 1.1550 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 1.7380 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -0.0270 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -1.3980 -3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -1.3400 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -4.0570 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -4.1070 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -0.2860 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -1.6150 -2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -2.7610 -8.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -1.7840 -7.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2770 -3.5790 -8.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -4.6160 -8.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 -4.6250 -10.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 -3.5790 -10.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -3.0380 -11.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 1.4690 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 1.5840 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 0.1660 3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -1.4900 -4.7710 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9120 -1.6780 -4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -0.6230 -5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -2.9310 -9.8430 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4060 -2.9000 -10.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -1.9500 -9.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -0.6150 -0.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 51 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 54 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 57 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 51 1 M CHG 1 54 1 M END