
 OpenBabel04291915423D

 50 53  0  0  1  0  0  0  0  0999 V2000
    3.0495    0.8402    0.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770    0.8402    0.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    1.7868    1.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3276    2.6672    2.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    3.5476    3.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3276    4.4279    3.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    5.3083    4.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3276    6.1887    5.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    7.0691    6.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3420    3.5476    3.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6470    1.7868    1.5439 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9753   -0.0753   -0.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3718   -0.0753   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0433   -0.9557   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3862   -0.9557   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0576   -1.8361   -1.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4006   -1.8361   -1.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0433    0.8051    0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3213    1.7517    1.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9248    1.7517    1.5136 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075    0.8113    0.7018 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7505    1.0163    0.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850    2.0130    1.7391 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171    2.8383    2.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4571    3.8348    3.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449    4.7093    4.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5747   -0.6030    1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9527    0.3100    0.2691 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.5565    2.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2956    2.6672    2.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2956    4.4279    3.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310    5.3083    4.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2956    6.1887    5.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239    7.8445    6.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4830   -0.7207   -0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5273   -1.6322   -1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9022   -0.2791   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5416   -2.5126   -2.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3502   -2.1420   -1.8474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4325    2.3971    2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4660    0.9574   -0.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3170    2.1491    1.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323    3.3663    1.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323    2.2245    3.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420    3.3068    4.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420    4.4486    2.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4368    4.7601    5.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911    5.7216    4.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5640   -0.9943    1.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2209   -1.6106    1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  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 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  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 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 19 29  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 21 41  1  0  0  0  0
 22 28  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
>  <SKU>
A13877

>  <Product Name>
ANA-12

>  <CAS>
219766-25-3

>  <M.Wt>
407.48544

>  <Formula>
C22H21N3O3S

>  <Synonyms>
ANA12, ANA 12

>  <URL>
https://www.adooq.com/ana-12.html

$$$$
