
 OpenBabel04291915453D

 76 79  0  0  0  0  0  0  0  0999 V2000
    6.2363    4.7326    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1744    5.8197    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066    5.7126   -1.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088    5.6507    1.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9737    7.4432    0.1825 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7357    8.7105    0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0986   10.0031    0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912   10.9319    0.2722 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5422   12.1820    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   11.8857    0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4458   13.1783    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5076   14.1387    0.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2064   13.8066    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434   12.5141    0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8721   15.4371    0.3793 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2160   15.7801    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3491   17.2557    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5276   17.8013    0.4341 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6442   19.0944    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8628   19.6587    0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9833   20.9957    0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2019   21.5599    0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3225   22.8970    0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5462   19.8673    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3276   19.3031    0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2511   18.0286    0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8013   10.5772    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771   11.8084    0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6371   11.7195    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098   12.8352    0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4498   12.7464    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0429   11.5419    0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5702   13.0129    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186   14.1936    0.3663 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5346   10.3696    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6710   11.8830    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0007   12.4830   -0.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0051   12.4204    1.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1070   12.2495    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9647   11.3715    0.2747 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716   13.5479    0.3305 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9772    0.0973    0.0024 Na  0  3  0  0  0 15  0  0  0  0  0  0
    6.8471    4.8080    0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8456    4.8517   -0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7638    3.7729    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160    5.8316   -1.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5591    6.4779   -1.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8341    4.7529   -1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9196    5.7261    2.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362    4.6910    1.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612    6.4159    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4457   13.4335    0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   14.5447    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5645   11.7760    0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6848   15.4018   -0.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6880   15.3577    1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7066   19.0647    0.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1395   21.5897    0.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0457   20.9660    0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8102   23.8062    0.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   19.8843    0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3212   17.5810    0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5821    9.9783    1.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789   10.0224   -0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1813   10.7939    0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460   13.7608    0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8248   10.8686    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521   13.6862    0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0034    9.9913   -0.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0065    9.9472    1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694   12.1047   -1.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0967   13.5484   -0.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9639   12.2184   -0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4770   11.9980    2.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   12.1558    1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1012   13.4857    1.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  3 48  1  0  0  0  0
  4 49  1  0  0  0  0
  4 50  1  0  0  0  0
  4 51  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 35  1  0  0  0  0
  7  8  1  0  0  0  0
  8 27  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  2  0  0  0  0
 21 58  1  0  0  0  0
 22 23  1  0  0  0  0
 22 59  1  0  0  0  0
 23 24  2  0  0  0  0
 23 60  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 61  1  0  0  0  0
 26 62  1  0  0  0  0
 27 28  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  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 65  1  0  0  0  0
 30 31  2  0  0  0  0
 30 66  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 67  1  0  0  0  0
 33 68  1  0  0  0  0
 35 36  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 36 39  1  0  0  0  0
 36 38  1  0  0  0  0
 36 37  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 38 74  1  0  0  0  0
 38 75  1  0  0  0  0
 38 76  1  0  0  0  0
 39 41  1  0  0  0  0
 39 40  2  0  0  0  0
M  CHG  2  41  -1  42   1
M  END
>  <SKU>
A15169

>  <Product Name>
MK591

>  <CAS>
147030-01-1

>  <M.Wt>
609.15313

>  <Formula>
C34H34ClN2NaO3S

>  <Synonyms>
Quiflapon sodium, MK-591, MK 591

>  <URL>
https://www.adooq.com/mk591.html

$$$$
