REMARK  Name = BDB017723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.141  -3.177   0.754  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.573  -2.137   0.435  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.223  -0.807   0.582  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.632  -0.792   1.118  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.342   0.550   0.896  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.407   1.721   1.180  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.199   1.562   0.388  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.567   2.362   0.381  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.579   0.329   0.250  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.195   0.262  -0.274  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.599  -0.998  -0.432  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.300  -1.134  -0.933  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.550  -0.002  -1.282  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -1.131   1.260  -1.121  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.430   1.381  -0.623  0.00  0.00    +0.135 A 
ATOM     16  F   LIG    1       -2.922   2.623  -0.473  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1       -3.307  -2.151  -0.076  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -2.882  -3.064  -0.170  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1        0.853  -0.146  -1.831  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.758  -0.851  -0.911  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        1.983  -0.074   0.335  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.393  -0.239   0.945  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.403   0.226  -0.022  0.00  0.00    -0.311 N 
ATOM     24  C   LIG    1        4.175  -0.160  -1.425  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        3.037  -1.199  -1.563  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.712   0.281   0.452  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1        6.005  -0.147   1.703  0.00  0.00    -0.133 NA
ATOM     28  N   LIG    1        7.288  -0.089   2.209  0.00  0.00    -0.136 NA
ATOM     29  C   LIG    1        8.267   0.421   1.448  0.00  0.00    +0.152 A 
ATOM     30 CL   LIG    1        9.823   0.458   2.158  0.00  0.00    -0.060 Cl
ATOM     31  C   LIG    1        8.038   0.893   0.176  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        6.737   0.823  -0.322  0.00  0.00    +0.048 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 3