
 OpenBabel04291915373D

 63 66  0  0  0  0  0  0  0  0999 V2000
  -13.9803   -0.3433   25.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1145   -1.2479   25.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0058   -0.4939   24.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5395   -2.4760   24.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7420   -2.0562   23.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6360   -0.8648   22.9646 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1110   -3.0159   22.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3391   -2.6095   21.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7641   -3.8376   20.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9921   -3.4312   19.4823 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4053   -4.3238   18.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6827   -3.9434   17.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0759   -4.8663   16.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6205   -7.2189   13.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5046   -5.9155   13.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0914   -5.0230   14.1128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7903   -5.3909   15.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3771   -4.4983   15.8825 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7531   -5.5199   12.2654 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1222   -6.4796   11.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -6.0992   10.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7928   -7.0221    9.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9087   -8.3255    9.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3020   -9.2484    9.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2381   -7.7830   11.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6346   -8.7076   11.0141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7511  -10.0169   11.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4737  -10.3973   12.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5897  -11.7006   12.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3123  -12.0811   13.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4282  -13.3844   14.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1443  -10.9398   10.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2257  -13.8042   15.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7105  -13.2639   16.3311 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4828  -13.3956   15.0827 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1997  -15.1300   15.3335 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5810   -5.8250   10.6312 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -15.8787   -1.6502   26.2312 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3529   -0.8741   26.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3851    0.5212   26.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4045   -0.0402   24.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4106    0.3706   24.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8042   -1.1307   23.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4300   -0.1908   23.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3379   -3.1128   24.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9121   -3.0068   25.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1960   -3.9714   22.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5407   -1.9727   21.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9665   -2.0787   20.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5625   -4.4744   20.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1366   -4.3684   21.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4944   -5.3254   18.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5936   -2.9418   17.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8794   -6.3925   15.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6681   -4.5644   12.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3104   -5.0976   10.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7804   -9.8238    8.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7496   -8.2352   12.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9400   -9.6881   12.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1234  -12.4099   12.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7786  -11.3718   14.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5481  -11.0575    9.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3099   -2.1314   26.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2 38  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 53  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 56  1  0  0  0  0
 22 37  1  0  0  0  0
 22 23  2  0  0  0  0
 23 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 59  1  0  0  0  0
 29 30  2  0  0  0  0
 29 60  1  0  0  0  0
 30 31  1  0  0  0  0
 30 61  1  0  0  0  0
 31 33  1  0  0  0  0
 31 32  2  0  0  0  0
 32 62  1  0  0  0  0
 33 36  1  0  0  0  0
 33 35  1  0  0  0  0
 33 34  1  0  0  0  0
 38 63  1  0  0  0  0
M  END
>  <SKU>
A11236

>  <Product Name>
TAK-285

>  <CAS>
871026-44-7

>  <M.Wt>
547.9566096

>  <Formula>
C26H25ClF3N5O3

>  <Synonyms>
TAK285

>  <URL>
https://www.adooq.com/tak-285.html

$$$$
