REMARK  Name = BDB062645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.441   0.944  -0.644  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.023   2.262  -0.588  0.00  0.00    -0.245 N 
ATOM      3  N   LIG    1       -1.299   2.440  -0.837  0.00  0.00    -0.169 NA
ATOM      4  C   LIG    1       -1.780   1.203  -1.024  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1       -3.098   0.794  -1.296  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.278  -0.606  -1.437  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.171  -1.519  -1.303  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.838  -1.140  -1.032  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -0.711   0.240  -0.908  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        3.966  -3.038  -0.155  0.00  0.00    +0.239 C 
ATOM     11  N   LIG    1        3.208  -1.875  -0.185  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.398  -1.364   0.933  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        2.179   0.157   0.886  0.00  0.00    +0.125 C 
ATOM     14  N   LIG    1        1.750   0.617  -0.441  0.00  0.00    -0.312 N 
ATOM     15  C   LIG    1        2.586   0.153  -1.556  0.00  0.00    +0.125 C 
ATOM     16  C   LIG    1        2.851  -1.358  -1.515  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        4.547  -3.478  -1.146  0.00  0.00    -0.271 OA
BRANCH  10  19
ATOM     18  C   LIG    1        5.083  -4.599   1.370  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        4.059  -3.768   1.139  0.00  0.00    +0.060 C 
ENDBRANCH  10  19
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  C   LIG    1       -4.624  -1.138  -1.722  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -5.708  -0.845  -0.881  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -6.973  -1.355  -1.161  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -7.994  -1.067  -0.343  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -7.195  -2.158  -2.273  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -6.133  -2.458  -3.121  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -4.858  -1.951  -2.846  0.00  0.00    +0.009 A 
ENDBRANCH   6  20
BRANCH   2  27
ATOM     27  C   LIG    1        0.859   3.436  -0.362  0.00  0.00    +0.180 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.163   3.660   1.101  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1        0.130   3.849   2.032  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        0.419   4.066   3.380  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.743   4.106   3.812  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.779   3.930   2.897  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        2.492   3.712   1.549  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 5