PUBCHEM-ZINC06471089 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.6220 1.7270 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.3640 -0.1450 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1080 0.5540 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.5070 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -1.5460 1.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.3010 -1.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -1.2260 -1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -1.8050 -1.7810 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1080 -1.8320 -3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -1.5710 -3.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -2.3250 -4.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.6460 -4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -1.7730 -3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -2.3480 -5.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -0.1630 -4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -3.2000 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -4.0060 -1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -3.6020 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -4.9510 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -5.4080 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 -6.0570 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -6.2460 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -5.7590 2.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -5.2260 2.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9820 -6.8730 1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5370 -6.8220 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 -7.2590 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -6.4960 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 -6.3330 -1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 1.6310 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 2.3290 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 2.2810 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -1.1510 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -3.4120 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -2.1430 -5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -1.2330 -3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -2.8190 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -2.2850 -6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -1.8930 -5.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -3.4100 -5.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 0.3960 -4.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 0.3290 -4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -0.0660 -5.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -2.8270 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -3.6410 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -5.7130 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -4.8870 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8950 -7.9150 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 -6.3550 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4330 -7.4470 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8470 -5.7920 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -8.3270 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 -7.0970 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.0830 2.0420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 54 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 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 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 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 27 53 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 54 -1 M END