PUBCHEM-ZINC05138475 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -3.1880 0.3680 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 1.3270 -2.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1660 1.5270 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 2.3000 -2.4580 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2880 2.6650 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 3.4230 -2.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 3.8010 -3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 0.0800 -2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -0.3160 -3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 0.6910 -4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 0.4630 -5.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -0.7910 -5.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -1.8450 -5.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -1.5870 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -2.7640 -4.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -3.7660 -4.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -3.2240 -5.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -4.0810 -6.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -3.6430 -7.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 -4.5060 -8.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -5.8270 -8.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -6.2890 -7.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -5.4370 -6.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -5.9270 -5.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -5.1090 -5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -2.9550 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -0.6180 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 0.2310 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 0.7520 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 1.8910 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 0.5100 -3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 3.2640 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 2.4970 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.7760 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 0.7990 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 1.6840 -3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 1.2600 -5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -0.9250 -6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -2.6260 -7.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -4.1440 -9.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 -6.4990 -9.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -7.3290 -7.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -6.9650 -6.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -5.5260 -4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -2.1290 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -3.8740 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -3.0080 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 0.7170 -3.0920 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3250 0.0810 -3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 1.5290 -3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 4 -1 M CHG 1 48 1 M END