
 OpenBabel04291915483D

 53 57  0  0  0  0  0  0  0  0999 V2000
   13.4647    3.2837   -1.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8509    2.2942   -0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5919    1.1000   -0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3714    1.4082   -0.5468 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.2574   -0.0197    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6003   -0.0194    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2718   -1.1015    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6147   -1.1012    0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2862   -2.1833    0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5860   -1.1021    0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4544    2.2939   -0.8978 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7561    1.1683   -0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132    1.1680   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7418    0.0856   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3988    0.0853   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7274    1.1674   -0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4276    0.0862   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7006   -1.0403    0.4108 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4460   -1.0406    0.4101 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7966   -2.0874    0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4460   -3.1339    1.2337 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -2.0868    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940   -2.0865    0.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4654   -3.1686    1.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8083   -3.1683    1.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4798   -4.2505    1.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8288   -4.2502    1.6776 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223   -5.3678    2.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8859   -5.1316    2.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8083   -5.3329    2.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4654   -1.0041    0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4476   -2.0877    0.8208 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541   -3.2056    1.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3339    0.2580   -1.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3329    0.8977    0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1163    0.8124   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7558   -1.9333    0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1307   -0.2694    0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1109   -2.7604    1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6364   -1.4783    0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9621    3.0872   -1.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8972    1.9996   -0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2578   -0.7460    0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9026    1.7445   -0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2523   -0.4909    0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9494   -4.0004    1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3243   -2.3365    0.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2643   -6.2098    1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2633   -5.5702    3.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5903   -0.0508    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7022   -3.0239    1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121   -3.4079    2.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0132   -4.0475    0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  2  0  0  0  0
 14 43  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 32  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 50  1  0  0  0  0
 32 33  1  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
M  END
>  <SKU>
A16319

>  <Product Name>
SecinH3

>  <CAS>
853625-60-2

>  <M.Wt>
460.505

>  <Formula>
C24H20N4O4S

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/secinh3.html

$$$$
