REMARK  Name = BDB053706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.857  -4.101   1.282  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1        0.169  -3.841   2.115  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.585  -2.561   2.245  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1       -0.017  -1.528   1.513  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.196  -0.124   1.451  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -0.738   0.416   0.573  0.00  0.00    +0.037 A 
ATOM      7  N   LIG    1       -1.476  -0.639   0.049  0.00  0.00    -0.340 N 
ATOM      8  C   LIG    1       -1.069  -1.828   0.644  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -1.521  -3.148   0.522  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.168   0.642   2.218  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        2.457   0.725   1.700  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.948  -0.082   0.576  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.101   0.601  -0.181  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.180   1.066   0.705  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.867   1.578   0.151  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.617   1.971   1.721  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.496   1.315   2.542  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.831   1.192   3.263  0.00  0.00    -0.270 OA
ENDBRANCH   5  10
BRANCH   7  19
ATOM     19  C   LIG    1       -2.539  -0.516  -0.956  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -2.277  -1.329  -2.238  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -3.384  -1.105  -3.268  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.763  -1.396  -2.682  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.026  -0.577  -1.421  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.935  -0.784  -0.372  0.00  0.00    +0.025 C 
ENDBRANCH   7  19
BRANCH   1  26
ATOM     25  C   LIG    1       -0.615  -6.328   1.961  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1       -1.313  -5.399   1.139  0.00  0.00    -0.480 OA
ENDBRANCH   1  26
BRANCH   6  27
ATOM     27  C   LIG    1       -0.949   1.880   0.271  0.00  0.00    +0.089 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.128   2.481  -0.619  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1        0.893   3.604  -0.230  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1        0.711   4.283   1.099  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1        1.861   4.103  -1.114  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1        2.614   5.157  -0.761  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        2.073   3.538  -2.367  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1        1.312   2.446  -2.762  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        0.349   1.925  -1.896  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 5