
 OpenBabel04291915423D

 76 78  0  0  0  0  0  0  0  0999 V2000
    5.1981   11.2546    2.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4571   12.4993    3.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1142   12.4986    3.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427   13.6268    3.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998   13.6261    3.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283   12.4971    3.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1286   11.3711    2.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9146   12.4964    3.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5860   13.6246    3.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9290   13.6239    3.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283   14.7543    3.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503   15.9682    3.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5365   16.9995    4.2578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034   12.4898    3.1450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115   14.7587    3.7035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5674   12.4975    3.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703   12.1016    1.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0741   13.8887    3.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172   14.7609    3.6948 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3922   11.2847    2.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493   11.2840    2.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778   10.1553    2.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493    9.0273    2.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778    7.8987    1.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636   12.4134    3.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4126   12.4141    3.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493    6.7707    1.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3922    6.7715    1.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0637    5.6435    1.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3922    9.0281    2.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   10.2736    2.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688   10.7458    3.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276   10.0050    2.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892    4.5097    1.1383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    7.9052    1.9853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273    7.9833    2.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411    9.0148    2.2697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3083   12.5287    3.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607    0.0892    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    0.0892    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0565   -0.9419   -0.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172    1.2222    0.3071 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3740   11.1995    1.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6211   10.4085    3.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1343   11.2570    3.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9533   10.7696    2.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   15.9688    3.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5404   12.4893    3.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0255   14.7592    3.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9268   11.7977    3.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109   12.8015    1.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136   11.1223    1.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403   12.1024    1.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147   14.5886    2.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441   13.8895    3.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7201   14.1674    4.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   14.7614    3.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   10.1547    2.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8811   13.2016    3.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8727   11.0297    1.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    9.9898    4.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168   10.9349    4.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   11.6451    4.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8880    9.2490    3.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1626   10.9043    2.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841    9.6726    1.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577    3.7227    0.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982    8.6922    2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7047    7.9827    2.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036   13.3181    3.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049   12.3716    4.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3088   12.7952    2.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6041    1.0676    0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6041   -0.6129    0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6041   -0.1871   -0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    1.2222    0.3071 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  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4 19  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 46  1  0  0  0  0
  8 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 38  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 58  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 27  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 59  1  0  0  0  0
 27 36  1  0  0  0  0
 27 28  2  0  0  0  0
 28 35  1  0  0  0  0
 28 29  1  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 33  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 34 67  1  0  0  0  0
 35 68  1  0  0  0  0
 36 37  2  0  0  0  0
 36 69  1  0  0  0  0
 38 70  1  0  0  0  0
 38 71  1  0  0  0  0
 38 72  1  0  0  0  0
 39 40  1  0  0  0  0
 39 73  1  0  0  0  0
 39 74  1  0  0  0  0
 39 75  1  0  0  0  0
 40 42  1  0  0  0  0
 40 41  2  0  0  0  0
 42 76  1  0  0  0  0
M  END
>  <SKU>
A13578

>  <Product Name>
AT101 acetic acid

>  <CAS>
866541-93-7

>  <M.Wt>
578.60636

>  <Formula>
C32H34O10

>  <Synonyms>
AT-101, AT 101

>  <URL>
https://www.adooq.com/at101.html

$$$$
