PUBCHEM-ZINC05962762 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 55 0 0 1 0 0 0 0 0999 V2000 -1.5900 -1.9970 -2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -1.1360 -1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -1.3360 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -1.4770 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -0.6610 -1.7320 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0110 -0.8080 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -0.9860 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -0.0720 -2.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -2.3010 -2.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -2.9970 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.8560 -2.8230 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1850 -2.3100 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -2.8820 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7510 -1.5130 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 -1.6810 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 -0.8490 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 -4.3070 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -4.9190 -2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 -4.8290 -4.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 -4.3080 -4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -6.1850 -4.7830 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8470 -6.8690 -3.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -6.2290 -5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -6.0720 -5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -6.1270 -6.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -7.2770 -6.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 -6.6420 -5.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -5.6790 -5.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -1.8400 -3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -3.0630 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -1.7420 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -0.0880 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.3570 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.6430 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -1.1550 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -2.5440 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -1.3540 -3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -3.3600 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -3.5320 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 -0.8490 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 -2.3340 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 -0.7130 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 -2.1170 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -0.6210 -3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8670 0.0970 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1560 -1.4930 -3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 -5.4440 -6.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -7.1810 -6.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -6.8690 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -5.1170 -4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -5.0070 -6.8340 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5920 -7.8870 -5.5830 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7080 0.8070 -1.9500 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5920 1.3220 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.2000 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 0.9830 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 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 1 0 0 0 0 5 7 1 0 0 0 0 5 53 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 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 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 M CHG 1 51 -1 M CHG 1 52 -1 M CHG 1 53 1 M END