
 OpenBabel04291915433D

 73 76  0  0  0  0  0  0  0  0999 V2000
    5.2149    1.3780    1.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739    0.6252    0.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1454   -0.0562   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739   -0.7384   -1.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1454   -1.4197   -1.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739   -2.1020   -2.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310    0.6242    0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4090    1.3569    1.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0661    1.3559    1.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946    2.0373    2.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440    2.6971    3.7311 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    2.6979    3.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0804    2.0391    2.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4769    2.0400    2.8182 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1942    1.3122    1.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1752    2.7495    3.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5614    3.3723    4.6593 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6572    2.7505    3.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1649    1.3253    3.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1628    3.3362    2.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1512    3.5699    4.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    3.7147    5.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9191    4.4572    6.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0464    5.0550    6.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7261    4.9102    6.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2785    4.1677    5.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7631    5.5699    7.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9524    5.1267    8.9342 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9506    6.8862    7.6610 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5219    5.2889    7.3081 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3762    4.6170    6.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9275    3.4237    6.5736 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257    5.1832    5.3004 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5829    5.3873    7.4354 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019    2.0363    2.8209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192    2.7641    3.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2136    2.6003    3.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9486    3.3461    4.6352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5944    4.7706    4.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192    1.3076    1.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3938    3.1876    4.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2669    1.2641    1.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    0.9990    2.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9557    2.4146    1.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1774   -0.0555   -0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4419   -0.7391   -1.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1774   -1.4190   -1.9645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490   -2.7026   -3.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501    0.8317    1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8331    3.2306    4.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4989    0.8350    1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101    0.5716    2.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8086    1.9872    1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090    0.9130    4.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2349    1.3261    3.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8082    0.7337    3.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8054    4.3395    2.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8061    2.7446    1.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2328    3.3370    2.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1421    3.2553    4.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    5.6256    7.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2639    4.0565    5.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614    3.8010    3.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4599    2.3854    4.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713    1.5634    3.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4728    2.9790    2.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0142    5.2348    5.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1056    5.6987    4.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9872    0.2829    1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6147    1.1064    0.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6516    2.1507    4.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6530    3.5663    3.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9288    3.7305    5.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 45  1  0  0  0  0
  4  5  2  0  0  0  0
  4 46  1  0  0  0  0
  5  6  1  0  0  0  0
  5 47  1  0  0  0  0
  6  7  2  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 49  1  0  0  0  0
 10 35  1  0  0  0  0
 10 11  2  0  0  0  0
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 14 16  1  0  0  0  0
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 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
 18 20  1  0  0  0  0
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 19 56  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 23 31  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 61  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 29  1  0  0  0  0
 27 28  1  0  0  0  0
 31 34  1  0  0  0  0
 31 33  1  0  0  0  0
 31 32  1  0  0  0  0
 35 36  1  0  0  0  0
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 37 38  1  0  0  0  0
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 39 67  1  0  0  0  0
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 41 71  1  0  0  0  0
 41 72  1  0  0  0  0
 41 73  1  0  0  0  0
M  END
>  <SKU>
A14428

>  <Product Name>
Netupitant

>  <CAS>
290297-26-6

>  <M.Wt>
578.5916992

>  <Formula>
C30H32F6N4O

>  <Synonyms>
D05152, AG-E-94200

>  <URL>
https://www.adooq.com/netupitant.html

$$$$
