
 OpenBabel04291915403D

 43 45  0  0  0  0  0  0  0  0999 V2000
    0.9717    0.0105    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587    0.0105    0.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332    0.1388    1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3761    0.1388    1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0476    0.2655    2.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3761    0.3921    3.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332    0.3921    3.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3617    0.0122    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2621    0.5591    5.0942 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1395   -0.6707    5.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1395    1.8066    5.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1415    0.7018    6.3971 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6070    0.8452    7.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630    0.9527    8.6872 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1959    1.0860    9.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5162    1.1127   10.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2272    0.8780    8.0053 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575    1.2055   10.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7052    1.3433   12.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8325    1.4544   13.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5122    1.4277   13.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646    1.2899   11.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9372    1.1787   10.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2980    1.5978   14.5775 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4624    1.6213   14.7926 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522    1.7055   15.5609 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0506    0.0117    0.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4376    0.0117    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -0.1003   -0.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    0.9343    0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -0.8024    0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796    0.2655    2.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    0.4787    4.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012   -0.0930   -0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1735    0.6823    6.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    1.2094   11.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198    1.3638   12.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416    1.5131   13.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0499    1.2693   11.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5932    1.0728    9.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7943   -0.0982   -0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7943   -0.8019    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7943    0.9350    0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
>  <SKU>
A12833

>  <Product Name>
Ro 61-8048

>  <CAS>
199666-03-0

>  <M.Wt>
421.4475

>  <Formula>
C17H15N3O6S2

>  <Synonyms>
Ro61-8048

>  <URL>
https://www.adooq.com/ro-61-8048.html

$$$$
