
 OpenBabel04291915413D

 56 60  0  0  0  0  0  0  0  0999 V2000
    0.9766    0.0559    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    0.0559    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.7250    1.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730    0.7259    1.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444    0.0578    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730   -0.6113   -0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157    0.0550    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934    0.0587    0.0776 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1679   -0.6125   -0.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -0.6116   -0.8793 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0940   -1.2357   -1.7686 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3927   -1.2349   -1.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0642   -1.9030   -2.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4148   -2.5500   -3.6411 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446   -1.8828   -2.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1017   -1.8837   -2.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4965   -1.2815   -1.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4607   -1.9020   -2.7218 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1589   -2.5968   -3.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5451   -3.2084   -4.5813 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6409   -2.5958   -3.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1476   -3.4193   -4.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1486   -3.1990   -2.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    1.4198    2.0207 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    2.1155    3.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576    2.1164    3.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081    2.8339    4.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0795    3.5030    4.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081    4.1711    5.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093    4.1702    5.9374 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093    2.8331    4.0342 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3921    2.1184    3.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1491    4.9095    6.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    0.8812   -0.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    0.1457    1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199   -0.8591   -0.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9890    1.2401    1.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8335   -1.1669   -1.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980    0.1528    0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9087   -0.7207   -1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5857   -2.3979   -3.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4645   -1.2822   -1.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9529   -1.4115   -2.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9969   -1.5907   -3.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9684   -3.1208   -5.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8496   -4.0434   -5.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5441   -3.8018   -1.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7658   -3.0239   -1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4473    1.4191    2.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1115    3.5037    4.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0874    1.6513    2.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2238    2.8002    2.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224    1.3705    3.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2010    4.7978    6.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    4.5170    7.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898    5.9467    6.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 37  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 40  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 33  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
 33 56  1  0  0  0  0
M  END
>  <SKU>
A13555

>  <Product Name>
TAK-593

>  <CAS>
1005780-62-0

>  <M.Wt>
445.47382

>  <Formula>
C23H23N7O3

>  <Synonyms>
TAK593, TAK 593

>  <URL>
https://www.adooq.com/tak-593.html

$$$$
