
 OpenBabel04291915453D

 58 59  0  0  1  0  0  0  0  0999 V2000
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    2.4864    0.0879    0.0339 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9931    1.4248    0.5500 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4864    1.6463    1.9658 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3631    0.3517    1.7199 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9664    1.6463    1.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4597    1.8678    3.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0603    1.8678    3.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669    2.0894    4.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0489    2.0894    4.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6627    1.9250    3.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7472    2.2763    5.9924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1817    2.2763    5.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6884    2.4979    7.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2084    2.4979    7.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7150    2.7194    8.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2350    2.7194    8.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7417    2.9409   10.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1762    2.9409   10.2399 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8745    3.1279   11.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2607    3.2922   12.4851 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3565    3.1279   11.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0731    3.4412   13.4374 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276    1.4248    0.5500 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1258    2.5531    0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    2.5531    0.9855 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646   -0.1212   -1.3023 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6097   -0.8533   -0.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6097    0.8730   -0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8431   -0.6973    0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364    2.2100   -0.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3186    2.0107    2.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6097    0.7052    1.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6097    2.4315    1.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8164    2.8090    3.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8164    1.0827    4.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4169    0.9267    3.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4169    2.6530    2.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    3.0305    5.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    1.3042    5.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2550    2.4081    6.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5384    1.3352    5.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5384    3.0615    5.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3317    3.4390    7.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3317    1.7127    8.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5650    1.5567    7.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5650    3.2830    6.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3584    3.6605    9.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3584    1.9342    9.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5917    1.7783    8.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5917    3.5046    8.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3850    3.8820   10.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3850    2.1557   10.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6684    2.8091    9.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7131    2.1867   11.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7131    3.9130   10.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9198    0.6294    0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.5820   -2.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 30  1  0  0  0  0
  3 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 58  1  0  0  0  0
M  END
>  <SKU>
A14906

>  <Product Name>
Iodoacetyl-LC-Biotin

>  <CAS>
93285-75-7

>  <M.Wt>
510.43321

>  <Formula>
C18H31IN4O3S

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/iodoacetyl-lc-biotin.html

$$$$
