JNP
  Converted by convert_cif2sdf.py  2024/03/29 11:09:15

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.4658    0.9265   -0.0139 C   0  0  0  0  0
    1.0947    0.7030    0.2871 C   0  0  0  0  0
   -1.3316    0.2976   -1.3938 C   0  0  0  0  0
   -1.2846    0.5062    0.1215 C   0  0  0  0  0
   -2.5372    1.2597    0.5723 C   0  0  0  0  0
   -1.2254   -0.8576    0.8263 C   0  0  0  0  0
    0.0492   -1.5441    0.3674 C   0  0  0  0  0
    0.0804   -2.7313    0.1208 O   0  0  0  0  0
    1.2437   -0.6945    0.2385 C   0  0  0  0  0
    2.5077   -1.2648    0.0627 C   0  0  0  0  0
    3.6038   -0.4586   -0.0604 C   0  0  0  0  0
    4.5612    1.7164   -0.1407 O   0  0  0  0  0
    2.2164    1.5060    0.1573 C   0  0  0  0  0
   -0.1245    1.2650    0.4617 O   0  0  0  0  0
   -1.3728    1.2647   -1.8928 H   0  0  0  0  0
   -0.4387   -0.2401   -1.7144 H   0  0  0  0  0
   -2.2177   -0.2832   -1.6528 H   0  0  0  0  0
   -3.4235    0.6800    0.3133 H   0  0  0  0  0
   -2.5035    1.4088    1.6520 H   0  0  0  0  0
   -2.5786    2.2279    0.0733 H   0  0  0  0  0
   -1.2025   -0.7163    1.9064 H   0  0  0  0  0
   -2.0920   -1.4569    0.5481 H   0  0  0  0  0
    2.6185   -2.3381    0.0265 H   0  0  0  0  0
    4.5816   -0.8972   -0.1964 H   0  0  0  0  0
    4.9911    1.9306    0.6977 H   0  0  0  0  0
    2.1185    2.5802    0.1890 H   0  0  0  0  0
  8  7  2  0  0  0
 10 11  2  0  0  0
 10  9  1  0  0  0
 11  1  1  0  0  0
  7  9  1  0  0  0
  7  6  1  0  0  0
  9  2  2  0  0  0
  1 12  1  0  0  0
  1 13  2  0  0  0
  6  4  1  0  0  0
  2 13  1  0  0  0
  2 14  1  0  0  0
 14  4  1  0  0  0
  4  5  1  0  0  0
  4  3  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
M  END
$$$$