TJLLIN0135
     RDKit          3D

 45 45  0  0  1  0  0  0  0  0999 V2000
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  -10.7792   -0.7162    0.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5857   -0.4881    4.8194 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.5280    1.3793   -1.5240 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.5536   -0.3970    3.6877 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1316   -0.2306    2.2588 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.0678    0.1144    1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7800   -0.2141    1.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0029   -1.5143    2.7332 C   0  0  0  0  0  2  0  0  0  0  0  0
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   -1.6520   -2.6092    3.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3568    1.1484    0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526    1.1248   -0.7858 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2776    1.1328   -2.0916 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9142   -0.9130   -3.3573 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8308    0.1898   -3.2669 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.0176   -1.4873   -3.3381 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5129   -1.1893   -3.1218 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.3616    0.9099   -4.0769 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.4162   -0.1575   -3.4638 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.4112    2.0359   -3.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0352    0.5102   -1.0373 C   0  0  0  0  0  2  0  0  0  0  0  0
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   10.0250   -1.0210    1.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5717   -0.3038    0.1830 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.6614   -0.5003    0.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2331   -0.5500    1.2983 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7258   -0.2763    2.3374 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7805    0.9459    0.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0219   -0.0007    0.1235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237   -2.2467    5.0287 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4165   -3.7902    3.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2191    0.0519    1.1620 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9642    2.1877    0.6707 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    1.1457   -3.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7683   -1.9255   -3.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3985    2.7528   -3.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7932   -1.1219   -2.7888 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2731   -2.1969    1.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4084    1.8816   -4.4658 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.1573   -0.2975    2.2152 N   0  0  0  0  0  1  0  0  0  0  0  0
   -6.5515   -0.3692    3.6280 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.9561   -1.4041    1.9965 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  2 28  2  0
  2 45  1  0
  3  6  1  0
  4  2  1  0
  4  3  1  0
  4 29  1  0
  5  7  1  0
  5 44  1  0
  7 30  1  0
  8  9  1  0
  8 30  1  0
  8 44  1  0
  9 29  1  0
  9 31  2  0
 10 12  1  0
 10 30  1  0
 10 32  2  0
 11 13  1  0
 12 11  1  0
 12 35  1  0
 13 33  1  0
 13 34  2  0
 14 15  1  0
 14 35  1  0
 14 36  2  0
 15 16  1  0
 16 37  1  0
 17 18  1  0
 17 38  1  0
 18 37  1  0
 19 20  1  0
 19 38  1  0
 20 40  1  0
 21 22  1  0
 21 42  1  0
 22 40  1  0
 23 25  1  0
 23 39  2  0
 23 42  1  0
 24 25  1  0
 24 27  1  0
 26 27  1  0
 26 41  2  0
 26 43  1  0
M  RAD  8   1   2   3   2   4   2   5   3   6   2   7   3   8   2  11   3
M  RAD  8  12   2  15   3  16   3  17   3  18   3  19   3  20   3  21   3
M  RAD  8  22   3  24   3  25   3  27   3  29   2  33   2  35   2  42   2
M  RAD  3  43   3  44   3  45   2
M  END
$$$$
