TJLLIN0079
     RDKit          3D

 50 50  0  0  1  0  0  0  0  0999 V2000
   -2.8990   -5.9311    1.0599 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.5005   -5.5380    1.8448 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4723   -5.3311    0.6530 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.9855    1.3130    0.4126 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7026    0.1361   -0.2441 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3929   -2.7059   -0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454   -5.0328   -0.7134 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3164  -10.0388   -1.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2317    2.1958    0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5055    1.2712    0.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386    0.3286   -0.1276 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1960    0.1420   -0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889   -1.2335   -0.5391 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7288   -6.2415   -1.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416   -8.6616   -1.7486 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.6710    2.0774    0.5394 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7785   -0.1252   -0.5315 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.0986   -8.8967   -3.1409 C   0  0  0  0  0  1  0  0  0  0  0  0
   12.8693    2.0374    0.3762 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9823    1.0145   -0.4762 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.4266    2.0231    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0872    2.0177   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8918    3.4648   -1.1324 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9678    4.4148   -0.8559 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.6068    6.3563    1.7261 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.3721    5.5691    0.5788 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9990    5.1192   -1.6926 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.8006    7.3073    2.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8276    5.9052   -0.7568 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5237   -2.8186    0.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5653  -10.4970   -0.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9264    3.0796    1.6271 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8544    0.4242   -0.2019 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.5854   -1.0680   -0.4295 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0843   -7.4393   -1.1506 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3666  -10.6124   -1.4806 O   0  0  0  0  0  1  0  0  0  0  0  0
    9.4812    1.2987    0.1687 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7459   -3.7185   -1.1191 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.0692    1.9904    1.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6965    1.2653   -0.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263   -6.0152   -2.7784 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9099    2.4440   -0.8786 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1224    1.5995    1.1900 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.7457    2.4622   -1.3489 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2921    2.3345    0.9271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2576    4.7229    0.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0931    8.5854    2.6555 N   0  0  0  0  0  1  0  0  0  0  0  0
   -7.7442    5.5512   -2.8518 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.5122    7.1459    3.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0169    6.3074   -0.9341 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  2  3  1  0
  4 10  1  0
  4 37  1  0
  5 11  1  0
  5 12  1  0
  6 13  1  0
  6 30  2  0
  6 38  1  0
  7 14  1  0
  7 38  1  0
  7  3  1  0
  8 15  1  0
  8 31  2  0
  8 36  1  0
  9 16  1  0
  9 32  2  0
  9 37  1  0
 10 33  1  0
 10 39  2  0
 11 33  1  0
 12 34  1  0
 12 40  2  0
 13 17  1  0
 13 34  1  0
 14 35  1  0
 14 41  2  0
 15 18  1  0
 15 35  1  0
 16 19  2  0
 17 20  1  0
 19 21  1  0
 20 22  1  0
 21 42  2  0
 21 43  1  0
 22 44  1  0
 22 45  2  0
 23 44  1  0
 24 23  1  0
 24 27  1  0
 24 46  1  0
 25 28  1  0
 26 25  1  0
 26 29  1  0
 26 46  1  0
 27 29  1  0
 27 48  1  0
 28 47  1  0
 28 49  2  0
 29 50  1  0
M  RAD  8   1   2   2   2   3   2   4   3   5   3   7   2  11   3  13   2
M  RAD  8  15   2  16   2  17   3  18   2  19   2  20   3  23   3  24   2
M  RAD  8  25   3  26   2  27   2  29   2  33   2  34   2  35   2  36   2
M  RAD  7  37   2  38   2  43   2  44   2  47   3  48   2  50   2
M  END
$$$$
