
 OpenBabel04291915433D

 54 58  0  0  0  0  0  0  0  0999 V2000
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   19.1542   -5.5475  -14.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6719   -6.3510  -16.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9754   -4.7048  -12.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7092   -6.8643  -17.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4518   -7.2575  -18.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8281   -7.7316  -19.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179   -7.7699  -19.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8942   -8.2429  -21.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5552   -8.2821  -21.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9751   -8.7220  -22.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6362   -8.7611  -22.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6031   -8.6173  -22.0931 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0124   -9.2341  -23.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6735   -9.2733  -23.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0934   -9.7132  -24.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545   -9.7524  -24.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9956   -9.3516  -23.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7713   -9.6348  -24.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1512  -10.2098  -26.1540 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.8205  -10.5632  -27.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8536  -10.2478  -26.2466 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.6440   -8.1636  -20.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1138   -8.5667  -21.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3169   -6.9051  -17.6972 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5277   -6.4873  -16.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1888   -6.5264  -16.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4299   -6.1247  -15.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0910   -6.1638  -15.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5109   -6.6048  -16.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1078   -6.0463  -15.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -5.7318  -14.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8052   -5.3287  -13.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9300   -5.7712  -14.7677 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3664   -5.1758  -13.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1831   -5.5174  -14.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5452   -6.0185  -15.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5419   -6.5517  -16.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0212   -4.3300  -11.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4807   -7.2274  -18.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9347   -7.4620  -19.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9720   -7.9741  -20.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5583   -9.0299  -23.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0903   -8.9654  -22.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6766  -10.0211  -25.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1256   -9.1515  -23.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6413   -9.8350  -25.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7430   -6.8653  -17.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8757   -5.7858  -14.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7363   -6.8536  -17.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824   -5.7975  -14.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4005   -5.4908  -14.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  2  0  0  0  0
  3 39  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  9 25  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  2  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  2  0  0  0  0
 30 51  1  0  0  0  0
 31 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
 34 36  1  0  0  0  0
 34 35  2  0  0  0  0
 36 54  1  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
>  <SKU>
A14301

>  <Product Name>
4E1RCat

>  <CAS>
328998-25-0

>  <M.Wt>
478.45232

>  <Formula>
C28H18N2O6

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/4e1rcat.html

$$$$
