PUBCHEM-ZINC06032464 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -1.1870 1.3010 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -0.0560 0.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2170 -0.8630 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -0.1350 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 0.3400 0.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -0.6890 2.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -1.2310 2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -1.1210 4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -1.3950 4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -0.7750 3.5250 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5100 0.2500 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -1.6770 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -2.7130 2.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -0.2270 -2.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5320 0.6280 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.1700 -3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 1.1400 -3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 1.1840 -5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.4840 -5.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 2.5230 -6.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 3.8200 -6.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 3.8440 -8.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -1.5640 -2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -2.5900 -2.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 2.1190 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.3550 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 1.4940 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -0.6830 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -2.2750 2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -0.1020 4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -1.8160 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.9550 5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -2.4780 4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.0190 -3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -0.2750 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 1.9880 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 1.2540 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 0.3280 -5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 1.0930 -6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 3.3390 -5.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 2.5830 -4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 1.6650 -6.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 2.4310 -7.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 4.6780 -6.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 3.9170 -6.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 3.0350 -8.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 3.8040 -9.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -1.3000 4.0070 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1200 -0.2320 -1.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -1.1750 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 5.1170 -8.2820 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7760 5.1650 -9.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 5.2190 -7.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 5.9330 -8.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.4570 -2.8160 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 49 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 49 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 M CHG 1 48 -1 M CHG 1 51 1 M CHG 1 55 -1 M END