TJLLIN0132
     RDKit          3D

 45 45  0  0  1  0  0  0  0  0999 V2000
   -5.4675    1.8898   -0.8614 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3546    1.6644    0.3693 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.6114    0.4248   -2.2220 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.7457    1.4786   -2.1892 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9141    0.5217   -0.4498 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.1241    0.5699    0.4916 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9912   -0.1111   -0.2600 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1155    0.7275   -0.9420 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4894    0.1187   -1.9829 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.1816    2.7707    2.3876 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.2735    0.4920    1.1977 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.2027    0.8039   -1.0268 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.0340    0.3537    1.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7069    2.0846   -2.8890 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0547   -0.8494    0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1008    0.2908    2.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1416    0.8336   -1.7145 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.4990    1.4933    3.0400 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.9404    1.7779   -3.7727 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.2501    1.0390   -2.5476 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0795    1.3126    3.1146 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8891   -1.5997    0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847   -2.1997   -0.1289 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.2732    1.2582   -3.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5405    0.3003    3.1137 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.6403    2.1808    4.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2930   -3.3121   -0.9593 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7100   -4.5048   -1.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7137    0.3304    2.5179 N   0  0  0  0  0  1  0  0  0  0  0  0
   -8.3924    0.5838    2.1826 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.6453   -0.4907   -2.2362 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6829    2.4183   -2.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2666   -0.2826    0.5955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6476   -1.7128   -0.4189 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.1254    1.5258   -4.6132 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.0171    1.5158   -1.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0144    0.1927    2.6169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2209   -0.6262    1.5921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6080   -0.1006    3.4801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3745   -2.3322    1.7386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8674    3.1523    4.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3714    1.1648   -4.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2990   -5.6712   -1.5743 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4130   -4.2297   -2.9140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2417    1.9641    5.3846 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  5  1  0
  3  4  1  0
  3 31  1  0
  4 32  1  0
  5 33  1  0
  6 12  1  0
  6 13  1  0
  7  8  1  0
  7 15  1  0
  8 36  1  0
  9 17  1  0
  9 31  1  0
 10 18  1  0
 11  2  1  0
 11 16  1  0
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 12 20  1  0
 13 29  1  0
 13 37  2  0
 14 19  1  0
 14 32  1  0
 15 34  1  0
 15 38  2  0
 16 30  1  0
 16 39  2  0
 17 36  1  0
 18 25  1  0
 19 35  1  0
 20 24  1  0
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 24 35  1  0
 24 42  2  0
 26 41  2  0
 26 45  1  0
 27 28  1  0
 28 43  1  0
 28 44  2  0
M  RAD  8   1   3   2   3   3   3   4   3   5   3   6   3   7   3   8   3
M  RAD  8   9   3  10   2  11   2  12   3  14   3  17   3  18   2  19   3
M  RAD  8  20   3  21   2  23   2  25   2  27   3  29   3  30   2  34   2
M  RAD  3  35   2  43   2  45   2
M  END
$$$$
