
 OpenBabel04291915443D

 39 42  0  0  1  0  0  0  0  0999 V2000
    0.9810   -0.0563    0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4744   -0.8788    1.2540 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9810   -0.2736    2.5530 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5010   -0.2736    2.5530 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0077    0.3315    3.8521 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5295   -0.4447    4.9596 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801   -0.5779    5.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3726    0.0312    4.2805 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077    0.5488    1.3794 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5010   -0.0564    0.0804 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9277    1.9366    1.4194 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4544    1.3712    0.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0344    1.3712    0.2058 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5277    0.5488    1.3794 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0010    1.1141    2.5930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5077   -1.0420    3.6494 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610    0.8059   -1.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9743    0.7120   -1.0160 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8146   -1.3335    6.2280 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4277    0.3315    3.8520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9456   -0.8788    1.2540 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010   -0.0563    0.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   -0.4823   -0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243    0.9486    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6244    0.7313    2.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577   -1.2786    2.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    1.3364    3.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5832    0.2529    4.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7028   -0.7458   -0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7727    2.4104    1.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844   -0.4561    1.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    2.0251    2.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487    1.0634   -1.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6927    1.2918   -0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4544   -1.7630    6.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533   -1.4368    6.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -0.5795    3.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -1.7917    1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243   -0.9674    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 26  1  0  0  0  0
  5 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  7 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
>  <SKU>
A14533

>  <Product Name>
Tetrodotoxin

>  <CAS>
4368-28-9

>  <M.Wt>
319.26798

>  <Formula>
C11H17N3O8

>  <Synonyms>
TTx

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

$$$$
