PUBCHEM-ZINC06092869 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0330 1.0850 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.3100 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.9620 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -0.2390 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 1.1540 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8300 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 3.3370 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 4.0010 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 5.5280 1.5250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1990 5.8510 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 6.0220 2.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 6.4660 3.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 7.4500 0.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4190 8.0340 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 8.1200 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 9.6450 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 10.1690 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 9.6160 -1.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 10.5460 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 10.6300 -3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 9.2410 -3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 8.2410 -3.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1070 7.2400 -3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 8.3460 -1.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 7.2030 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 6.0520 -1.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 8.2340 -4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 7.6540 -3.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -2.3230 0.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -2.6770 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 1.5900 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -0.8650 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -0.7550 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 1.7080 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 3.6930 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 3.6190 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 3.6010 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 3.7140 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 7.9120 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 7.7030 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 10.0590 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 10.0410 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 11.2620 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 9.9610 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 10.2100 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 11.5450 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 11.3130 -3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 11.0310 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 8.9100 -3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 9.2810 -4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 5.9540 3.6570 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3110 6.1260 0.7800 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9520 6.3070 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 5.4720 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 8.8030 -5.4350 O 0 5 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 52 1 0 0 0 0 11 12 2 0 0 0 0 11 51 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 13 52 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 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 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 29 30 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 51 -1 M CHG 1 52 1 M CHG 1 55 -1 M END