REMARK  Name = BDB053732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.824   0.676   0.287  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.071   1.994  -0.104  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1        0.079   2.750   0.116  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.012   1.916   0.728  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        2.245   2.335   1.113  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        2.538   3.617   0.832  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        1.698   4.503   0.185  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.432   4.074  -0.201  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.451   0.623   0.841  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.055  -0.532   1.478  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        2.195  -1.073   0.891  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.796  -0.625  -0.370  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.460  -1.792  -1.124  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.484  -2.527  -0.360  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.440  -3.511  -0.623  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.297  -2.395   1.095  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.838  -2.209   1.545  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.550  -1.022   2.487  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.298   2.488  -0.651  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.765   3.761  -0.296  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.964   4.244  -0.825  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.704   3.461  -1.709  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.249   2.193  -2.062  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.052   1.703  -1.534  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.789  -0.250   0.181  0.00  0.00    -0.435 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -2.816  -2.143   2.016  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.998  -2.540   0.821  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -1.483  -1.570  -0.051  0.00  0.00    +0.168 A 
ATOM     29  C   LIG    1       -0.742  -1.958  -1.171  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -0.285  -1.042  -2.039  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -0.471  -3.300  -1.415  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -0.954  -4.269  -0.539  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -1.715  -3.892   0.571  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4