REMARK  Name = BDB012714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.725  -0.649  -0.223  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.198  -1.912  -0.632  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.186  -1.739  -0.676  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.065  -2.773  -1.040  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.504  -4.011  -1.367  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.128  -4.197  -1.328  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.377  -5.396  -1.646  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.388  -0.432  -0.304  0.00  0.00    -0.257 N 
ATOM      9  C   LIG    1       -0.741  -3.170  -0.965  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.253   0.237  -0.031  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.660   0.262  -0.183  0.00  0.00    +0.133 C 
ATOM     12  C   LIG    1        2.741   1.471  -1.119  0.00  0.00    +0.186 C 
ATOM     13  O   LIG    1        4.019   2.111  -1.006  0.00  0.00    -0.378 OA
ATOM     14  C   LIG    1        4.241   2.625   0.309  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1        4.251   1.493   1.329  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        2.957   0.686   1.263  0.00  0.00    +0.031 C 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -2.057  -0.447  -0.072  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1       -2.669  -1.242  -0.272  0.00  0.00    +0.154 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -4.211   0.659   0.397  0.00  0.00    +0.083 A 
ATOM     20  C   LIG    1       -2.801   0.690   0.323  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1       -2.217   1.911   0.664  0.00  0.00    +0.134 A 
ATOM     22  N   LIG    1       -2.893   3.026   1.048  0.00  0.00    -0.261 NA
ATOM     23  C   LIG    1       -4.233   2.942   1.101  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -4.933   1.795   0.789  0.00  0.00    +0.036 A 
BRANCH  19  26
ATOM     25  O   LIG    1       -4.428  -1.639  -0.288  0.00  0.00    -0.245 OA
ATOM     26  C   LIG    1       -4.943  -0.589   0.057  0.00  0.00    +0.339 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -6.279  -0.473   0.162  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -6.623  -1.357  -0.089  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5