REMARK  Name = BDB040610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.679  -3.002  -1.580  0.00  0.00    +0.225 C 
ATOM      2  N   LIG    1        0.831  -2.210  -2.333  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.103  -1.233  -2.404  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.352  -4.116  -1.176  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        3.954  -3.395  -0.574  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.026  -2.335  -1.206  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        3.747  -1.818  -2.470  0.00  0.00    +0.027 C 
BRANCH   6   8
ATOM      8  C   LIG    1        2.694  -1.182  -0.254  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        2.225  -0.029  -0.816  0.00  0.00    -0.252 NA
ATOM     10  C   LIG    1        1.810   0.938   0.042  0.00  0.00    +0.178 A 
ATOM     11  C   LIG    1        1.874   0.791   1.419  0.00  0.00    +0.241 A 
ATOM     12  N   LIG    1        2.311  -0.348   1.989  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        2.713  -1.320   1.134  0.00  0.00    +0.139 A 
BRANCH  11  14
ATOM     14  O   LIG    1        1.374   1.714   2.283  0.00  0.00    -0.387 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.240   2.829   2.333  0.00  0.00    +0.576 C 
ATOM     16  F   LIG    1        1.782   3.696   3.265  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        2.285   3.474   1.147  0.00  0.00    -0.133 F 
ATOM     18  F   LIG    1        3.495   2.469   2.682  0.00  0.00    -0.133 F 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  C   LIG    1       -0.595  -2.450  -2.341  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.235  -1.513  -1.346  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1       -1.700  -0.259  -1.744  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -2.132   0.689  -0.804  0.00  0.00    +0.047 A 
ATOM     23 CL   LIG    1       -2.697   2.175  -1.484  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -2.093   0.421   0.580  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -1.676  -0.879   0.958  0.00  0.00    +0.047 A 
ATOM     26 CL   LIG    1       -1.644  -1.402   2.611  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -1.251  -1.823   0.014  0.00  0.00    +0.025 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -2.447   1.436   1.668  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -2.012   2.872   1.398  0.00  0.00    +0.227 C 
ATOM     30  O   LIG    1       -0.847   3.172   1.138  0.00  0.00    -0.275 OA
ATOM     31  N   LIG    1       -2.990   3.835   1.434  0.00  0.00    -0.256 N 
ATOM     32  H   LIG    1       -2.676   4.777   1.246  0.00  0.00    +0.157 HD
ATOM     33  C   LIG    1       -4.338   3.642   1.266  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1       -5.081   4.582   0.999  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1       -4.835   2.219   1.334  0.00  0.00    +0.097 C 
ATOM     36  C   LIG    1       -3.900   1.347   2.150  0.00  0.00    +0.027 C 
ENDBRANCH  24  28
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7