
 OpenBabel04291915483D

 75 80  0  0  1  0  0  0  0  0999 V2000
    0.9819    0.0736    0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019    0.0736    0.0653 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0086    1.1454    1.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5286    1.1454    1.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0353    2.2173    1.9677 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5286    1.9295    3.3715 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0353    3.0014    4.3227 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5553    3.0014    4.3227 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5619    3.4876    1.5448 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619    4.0733    5.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5819    4.0733    5.2739 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0352    4.5695    9.0328 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5552    4.5695    9.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619    4.8573    7.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5819    4.8573    7.6290 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0886    5.1451    6.2251 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6086    5.1451    6.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1153    6.2170    7.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6353    6.2170    7.1763 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1419    7.2889    8.1275 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6352    7.0011    9.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1152    7.0011    9.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6086    6.7133   10.9352 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1419    6.5048    5.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886    6.7133   10.9352 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6619    7.2889    8.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5286    4.2817   10.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0086    1.9295    3.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5053    2.2173    1.9677 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0086    0.3614   -1.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253   -0.1290    1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253   -0.6810   -0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253    1.0307   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586   -0.8836    0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519    0.9428    2.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519    2.1026    0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853    1.3481    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853    0.1883    1.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853    0.9724    3.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1829    3.4992    3.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4338    2.4038    4.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7053    3.8707    6.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7053    5.0304    4.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2796    3.6593    4.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9119    5.3241    9.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9119    3.6124    9.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052    4.1028    6.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7053    5.8145    7.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719    4.2046    8.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319    6.1023    5.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9653    5.3477    5.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9652    4.1880    6.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7586    6.0144    8.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7586    7.1742    6.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9919    5.2599    7.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9919    7.7556   10.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9919    6.0439    9.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7586    6.2465    8.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7586    7.9582    9.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7402    6.6243   11.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6694    6.1752    4.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9413    6.8082    5.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8652    6.7899   10.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0186    8.2771    8.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0186    6.9702    7.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0186    6.6193    8.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8852    5.0363   11.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8852    3.3246   10.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586    4.2817   10.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519    2.8867    3.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519    1.7269    4.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519    1.1750    2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0447    1.6068    2.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    1.0646   -1.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1442   -0.3109   -2.1599 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 30  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 40  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  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 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 55  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 29 30  1  0  0  0  0
 29 73  1  0  0  0  0
 30 74  1  0  0  0  0
 30 75  1  0  0  0  0
M  END
>  <SKU>
A16233

>  <Product Name>
Tomatidine

>  <CAS>
77-59-8

>  <M.Wt>
415.6517

>  <Formula>
C27H45NO2

>  <Synonyms>
Spirosolan-3-ol

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

$$$$
