REMARK  Name = BDB017706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.027  -0.461   2.819  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        4.445  -0.335   1.746  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1        5.042   0.418   0.611  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        6.390   1.050   0.844  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        6.755   2.091  -0.222  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        6.373   1.608  -1.617  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1        4.968   1.239  -1.619  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        4.561   1.046  -2.535  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        4.401   0.529  -0.571  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        3.076  -0.108  -0.750  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        2.512  -0.796   0.334  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        1.259  -1.411   0.236  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        0.529  -1.352  -0.960  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        1.088  -0.681  -2.052  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        2.341  -0.072  -1.941  0.00  0.00    +0.135 A 
ATOM     16  F   LIG    1        2.828   0.544  -3.031  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1        3.211  -0.884   1.542  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1        2.819  -1.386   2.327  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1       -0.825  -2.018  -1.071  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.759  -1.561  -0.038  0.00  0.00    -0.292 NA
ATOM     21  C   LIG    1       -2.230  -0.155  -0.230  0.00  0.00    +0.076 C 
ATOM     22  C   LIG    1       -2.937   0.311   1.086  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1       -4.183  -0.506   1.086  0.00  0.00    -0.308 N 
ATOM     24  C   LIG    1       -4.137  -1.258  -0.198  0.00  0.00    +0.090 C 
ATOM     25  C   LIG    1       -3.439  -0.291  -1.150  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -3.035  -2.342  -0.057  0.00  0.00    +0.107 C 
BRANCH  23  27
ATOM     27  C   LIG    1       -5.349   0.220   1.341  0.00  0.00    +0.140 A 
ATOM     28  N   LIG    1       -6.356   0.227   0.438  0.00  0.00    -0.237 NA
ATOM     29  C   LIG    1       -7.460   0.944   0.760  0.00  0.00    +0.132 A 
ATOM     30  C   LIG    1       -7.579   1.644   1.946  0.00  0.00    +0.130 A 
ATOM     31  N   LIG    1       -6.600   1.657   2.870  0.00  0.00    -0.258 NA
ATOM     32  C   LIG    1       -5.503   0.926   2.543  0.00  0.00    +0.154 A 
ENDBRANCH  23  27
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 3