
 OpenBabel04291915463D

 46 49  0  0  1  0  0  0  0  0999 V2000
    0.1402    3.4541   -4.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3876    4.1746   -3.7350 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2428    3.5763   -2.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0785    2.2293   -2.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3748    1.4877   -1.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0739    0.2265   -1.3019 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -0.4875   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    0.0783    0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    4.0188   -6.1419 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410    0.2802   -1.3767 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6313   -0.2188   -2.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    1.5441   -1.4515 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0586    5.5535   -3.8166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5516    6.2266   -2.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    7.6657   -2.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763    8.5032   -1.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2754    9.7644   -1.8442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6313   10.5742   -0.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104   10.1076    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708    8.1324   -3.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2968   11.9765   -0.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6648   12.8139    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3537   14.1181   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7216   14.9555    0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4007   14.4888    1.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3823   12.4432   -2.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091   16.2655    0.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7892   17.1304    1.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141   17.1225    1.9673 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   16.7366    2.9969 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3769   18.3615    1.5622 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1077    2.4150   -4.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033    3.5649   -5.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4507    4.0638   -3.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1287    4.0834   -1.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3059    3.6870   -2.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7371    0.0372    1.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1079    5.8054   -1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6147    6.1158   -2.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0981    8.1445   -0.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8015   10.1440    1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9618    8.0960   -4.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866   12.4553    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682   14.4767   -0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8908   14.5309    2.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   12.4011   -2.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 28 31  1  0  0  0  0
 28 30  1  0  0  0  0
 28 29  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <SKU>
A15431

>  <Product Name>
TBA-354

>  <CAS>
1257426-19-9

>  <M.Wt>
436.3414096

>  <Formula>
C19H15F3N4O5

>  <Synonyms>
TBA 354, TBA354

>  <URL>
https://www.adooq.com/tba-354.html

$$$$
