REMARK  Name = BDB014372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.350  -0.291   0.579  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1       -0.030  -0.767  -0.765  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1       -1.425  -1.429  -0.764  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -2.448  -0.574  -0.147  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -1.992   0.633   0.539  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -0.716   0.353   1.365  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        5.091   0.556   0.080  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        3.767   0.398   0.528  0.00  0.00    +0.103 A 
ATOM      9  C   LIG    1        3.489   0.642   1.871  0.00  0.00    +0.068 A 
ATOM     10  N   LIG    1        2.143   0.402   1.986  0.00  0.00    -0.326 N 
ATOM     11  H   LIG    1        1.601   0.448   2.833  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        1.655   0.032   0.760  0.00  0.00    +0.197 A 
ATOM     13  C   LIG    1        4.453   1.033   2.805  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        5.763   1.183   2.338  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1        2.623  -0.008  -0.124  0.00  0.00    -0.214 NA
ATOM     16  C   LIG    1        6.083   0.950   0.999  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1        6.568  -0.415  -1.560  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        6.947  -1.011  -0.837  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.716  -0.693  -2.522  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        5.438   0.328  -1.335  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        4.784   0.776  -2.266  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1       -3.709  -0.574  -0.701  0.00  0.00    +0.218 A 
ATOM     23  N   LIG    1       -4.537   0.445  -0.423  0.00  0.00    -0.210 NA
ATOM     24  C   LIG    1       -5.788   0.436  -0.955  0.00  0.00    +0.149 A 
ATOM     25  C   LIG    1       -6.229  -0.596  -1.758  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1       -5.324  -1.598  -1.987  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1       -4.082  -1.605  -1.474  0.00  0.00    -0.223 NA
BRANCH  24  28
ATOM     28  C   LIG    1       -6.736   1.578  -0.638  0.00  0.00    +0.434 C 
ATOM     29  F   LIG    1       -6.155   2.634  -0.002  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1       -7.773   1.187   0.160  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1       -7.319   2.097  -1.759  0.00  0.00    -0.164 F 
ENDBRANCH  24  28
ENDBRANCH   4  22
TORSDOF 4