PUBCHEM-ZINC01112847 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 1.5620 1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -0.1980 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -0.7780 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -2.1480 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -2.9450 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -2.3600 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -0.9890 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -4.3340 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -4.9690 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.3490 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -6.4480 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -6.8850 -2.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -8.2020 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -9.0590 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -10.3990 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -10.8990 -3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -10.0630 -4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -8.7010 -4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -7.8040 -5.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -8.2680 -6.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -9.5890 -6.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -10.6360 -6.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -7.4080 -7.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -6.9780 -8.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -6.1760 -9.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -5.7990 -9.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -6.2210 -9.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -7.0280 -8.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -4.9380 -11.0250 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4940 -4.5650 -11.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -4.6040 -11.4290 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8540 1.7420 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 1.5390 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 1.6960 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -0.1580 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -2.6010 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -2.9770 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -0.5340 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -4.8410 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -6.9850 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -6.6490 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -8.6780 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -11.0620 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -11.9480 -3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -10.4570 -5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -6.7740 -5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -7.2720 -7.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -5.8430 -9.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -5.9230 -9.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -7.3610 -7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 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 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 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 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 3 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END