
 OpenBabel04291915353D

 72 76  0  0  0  0  0  0  0  0999 V2000
    9.2695   -1.6262   -1.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9834   -1.0542   -1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100   -0.0327   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3236    0.6108    0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6196    1.5373    1.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6332    2.1809    2.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3508    1.8980    1.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0140   -0.9592   -0.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0348    1.8494    1.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0933    2.9234    2.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9900    0.3167    0.3132 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9643    0.9860    0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349    1.8328    1.8307 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307    0.6918    0.6921 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771    1.3793    1.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661    0.8896    0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297    1.3948    1.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145   -0.2978   -0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0192    0.9657    0.9732 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0807    1.4376    1.4468 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144   -0.0593   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961   -0.5846   -0.5825 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423   -1.5713   -1.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -1.9770   -1.9732 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -2.1145   -2.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -3.0634   -3.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6489   -3.5686   -3.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5972   -4.5175   -4.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4092   -4.9612   -4.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7522   -1.6708   -1.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7789   -5.0428   -5.0463 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7237   -6.0564   -6.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1362   -6.4523   -6.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0797   -7.4910   -7.4966 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3670   -6.9702   -8.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0478   -4.5688   -4.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4457   -7.8738   -7.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0337   -2.3637   -2.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8405   -2.0770   -0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8397   -0.8405   -2.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4131   -1.8399   -0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4124   -0.6035   -1.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8607    2.8928    2.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791    2.1430    2.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989   -1.6769   -1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5242    2.2019    0.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261    0.9663    2.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6020    3.8066    2.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1151    3.1488    3.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6039    2.5710    3.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7730   -0.3625   -0.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6564    2.4303    1.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    1.1947    2.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283   -1.3255   -0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6100   -0.4179   -1.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570    0.2700    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670   -0.2593   -0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996   -3.4044   -3.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5618   -3.2276   -3.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7576   -5.5276   -5.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4038   -1.1044   -1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2050   -5.6773   -6.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2069   -6.9129   -5.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6549   -6.8314   -5.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6530   -5.5958   -6.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3988   -7.3418   -8.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5725   -6.8216   -9.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5306   -5.0342   -3.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4730   -3.6334   -4.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9644   -8.2529   -7.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -7.0173   -8.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4046   -8.6298   -8.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 41  1  0  0  0  0
  2 42  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  2  0  0  0  0
  7 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
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 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 57  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  2  0  0  0  0
 27 59  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 60  1  0  0  0  0
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 32 33  1  0  0  0  0
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 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
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 36 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
M  END
>  <SKU>
A10714

>  <Product Name>
PHA-680632

>  <CAS>
398493-79-3

>  <M.Wt>
501.6232

>  <Formula>
C28H35N7O2

>  <Synonyms>
PHA680632

>  <URL>
https://www.adooq.com/pha-680632.html

$$$$
