
 OpenBabel04291915343D

 56 54  0  0  0  0  0  0  0  0999 V2000
    0.9726   -0.0656   -0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071   -0.0656   -0.0704 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053   -0.8901   -0.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4916   -1.6149   -1.7329 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5873   -0.8901   -0.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0773   -1.8350   -1.9690 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5873   -1.4293   -3.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0673   -1.4293   -3.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773   -1.0237   -4.6195 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0673   -1.9686   -5.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5873   -1.9686   -5.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0773   -2.9134   -6.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5873   -2.5078   -7.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053   -2.5078   -7.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915   -2.8190   -6.9560 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071   -2.1539   -9.1290 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726   -2.1539   -9.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5473   -2.9134   -6.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0413   -3.8660   -7.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2436   -4.5022   -8.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3676   -4.0341   -7.8499 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1073   -1.0237   -4.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133   -0.6148   -5.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111   -0.3417   -6.8478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130   -0.5426   -6.1913 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5473   -1.8350   -1.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0413   -2.7876   -2.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2436   -3.4237   -3.6738 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3676   -2.9556   -3.1716 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9726   -0.0656   -0.0704 Gd  0  1  0  0  0 15  0  0  0  0  0  0
    0.6159    0.6222    0.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -1.0486    0.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159    0.2297   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993    0.5157    0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -1.1854    0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440    0.0929   -1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -2.1171   -4.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -0.4463   -3.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -0.7416   -2.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -2.4124   -3.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -1.6733   -6.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -2.9516   -5.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -2.2638   -4.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -0.9855   -5.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -3.1956   -8.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -1.5248   -8.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993   -1.9043   -9.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -2.4491   -8.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -2.8416   -9.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -1.1708   -9.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040   -3.2087   -5.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040   -1.9304   -6.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7507   -0.3359   -3.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7507   -2.0067   -4.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040   -2.1302   -1.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040   -0.8519   -2.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 26  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  4  21  -1  25  -1  29  -1  30   3
M  END
>  <SKU>
A10415

>  <Product Name>
Gadodiamide (Omniscan)

>  <CAS>
131410-48-5

>  <M.Wt>
573.65634

>  <Formula>
C16H26GdN5O8

>  <Synonyms>
Omniscan

>  <URL>
https://www.adooq.com/gadodiamide-omniscan.html

$$$$
