PUBCHEM-ZINC05599661 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -1.6970 0.7820 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 0.8270 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 2.9070 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 3.5260 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 5.0150 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 5.6810 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 4.9850 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 4.0510 3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 3.4210 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 3.7340 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 4.7000 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 5.3440 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 6.6460 0.1080 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 7.6870 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 7.1490 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 8.0110 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 9.3920 2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 9.9120 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 9.0630 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 10.1140 3.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 11.5360 3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 12.1240 4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 12.7060 3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 13.2460 4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 13.2030 5.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 12.6190 6.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 12.0790 5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.3040 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 1.0750 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.1520 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.1680 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -0.2640 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 1.1680 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 3.1800 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 3.2240 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 3.0240 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 3.3620 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 5.5930 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 3.8240 4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 2.6970 4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 3.2460 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 4.9580 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 7.6170 3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 10.9730 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 9.4930 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 11.8650 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 11.8910 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 12.7410 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 13.6980 4.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 13.6220 6.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 12.5800 7.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 11.6190 5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 1.3880 0.7190 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6490 1.1040 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 53 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 15 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 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 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 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END