PUBCHEM-ZINC06547812 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.0150 1.5420 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.0120 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.4770 1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.8080 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.5410 0.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -2.3890 2.5350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0390 -2.0680 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -1.9010 2.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5290 -2.3900 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -0.4080 2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 0.1110 4.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.4800 4.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 2.3300 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 1.8110 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 0.4420 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.2190 1.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -3.8510 2.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -4.5360 2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -3.9420 3.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -6.0410 2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -6.5650 3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -8.0690 3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -8.6640 2.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -8.7540 3.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -10.1420 3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -10.9060 3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -12.2750 3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -12.8870 3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -12.1300 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -10.7600 3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -12.7880 3.0410 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6730 -13.9960 2.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6360 -12.1220 2.9890 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0080 1.9170 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.9080 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 1.8890 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -0.3630 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -0.3360 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -0.5530 4.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 1.8850 5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 3.3990 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 2.4750 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 0.0360 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -1.8170 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -4.3270 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -6.3480 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -6.4490 3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -6.2580 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -6.1570 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -8.2850 4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -10.4290 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -12.8690 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -13.9580 3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -10.1690 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 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 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END