PUBCHEM-ZINC03626226 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 0.7450 1.3760 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 1.6180 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 0.1520 2.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -0.4410 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -1.7860 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -2.5360 3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -1.9420 3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.5970 3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 3.1690 1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3740 3.8460 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 3.5100 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 2.5080 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 2.8200 4.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 4.1450 4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 5.1440 3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 4.8240 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 5.8920 2.0510 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7450 7.0340 2.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 5.6300 1.0310 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7580 4.1900 5.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 2.8400 6.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 2.0360 4.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 3.3080 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 4.3420 -0.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 2.2850 -0.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 2.3780 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 1.4600 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 0.4360 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 0.3980 -3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 1.8800 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 0.3520 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 2.0390 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 1.4320 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 2.0280 3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 2.1450 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 0.1450 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -2.2500 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -3.5870 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.5290 4.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -0.1320 3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 1.4820 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 6.1720 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 2.6740 6.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 2.6240 6.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 1.4870 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 3.4090 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 0.9450 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 2.0450 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -0.5450 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 0.7710 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -0.2340 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 0.0570 -4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 2.4480 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 1.9530 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7850 1.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 55 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END