REMARK  Name = BDB061699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.922  -0.779   1.642  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1        1.932  -1.266   0.842  0.00  0.00    -0.249 NA
ATOM      3  C   LIG    1        0.650  -0.972   1.126  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.297  -0.182   2.224  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -1.054   0.070   2.432  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1       -2.041  -0.403   1.640  0.00  0.00    -0.239 NA
ATOM      7  C   LIG    1       -1.696  -1.174   0.592  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        1.314   0.312   3.050  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.361  -1.459   0.315  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1        2.639   0.008   2.756  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        4.370  -1.153   1.273  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1        4.521  -2.668   1.496  0.00  0.00    +0.048 C 
BRANCH  11  17
ATOM     13  C   LIG    1        7.131   1.718  -2.595  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        6.961   0.822  -1.453  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1        6.553  -0.514  -1.901  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        6.001  -1.339  -0.741  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1        4.685  -0.734  -0.202  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1        4.677   0.802  -0.407  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        6.083   1.400  -0.427  0.00  0.00    +0.084 C 
ENDBRANCH  11  17
BRANCH  11  20
ATOM     20  O   LIG    1        5.293  -0.498   2.157  0.00  0.00    -0.382 OA
ATOM     21  H   LIG    1        6.184  -0.833   1.960  0.00  0.00    +0.211 HD
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  N   LIG    1       -2.674  -1.694  -0.286  0.00  0.00    -0.297 N 
ATOM     23  H   LIG    1       -2.483  -2.672  -0.489  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.065  -1.435  -0.323  0.00  0.00    +0.073 A 
ATOM     25  C   LIG    1       -4.915  -2.377  -0.898  0.00  0.00    +0.163 A 
ATOM     26  F   LIG    1       -4.427  -3.542  -1.352  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1       -6.265  -2.108  -0.983  0.00  0.00    +0.153 A 
ATOM     28  N   LIG    1       -6.827  -0.954  -0.559  0.00  0.00    -0.237 NA
ATOM     29  C   LIG    1       -6.018  -0.004  -0.036  0.00  0.00    +0.123 A 
ATOM     30  C   LIG    1       -4.641  -0.231   0.095  0.00  0.00    +0.069 A 
BRANCH  29  31
ATOM     31  N   LIG    1       -6.574   1.205   0.407  0.00  0.00    -0.311 N 
ATOM     32  C   LIG    1       -8.054   1.254   0.409  0.00  0.00    +0.134 C 
ATOM     33  C   LIG    1       -8.611   1.595  -0.985  0.00  0.00    +0.178 C 
ATOM     34  O   LIG    1       -8.043   2.815  -1.496  0.00  0.00    -0.377 OA
ATOM     35  C   LIG    1       -6.612   2.701  -1.577  0.00  0.00    +0.178 C 
ATOM     36  C   LIG    1       -5.995   2.426  -0.195  0.00  0.00    +0.134 C 
ENDBRANCH  29  31
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6