REMARK  Name = BDB014376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.394   0.306  -0.584  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1       -0.242   0.119   0.748  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1       -1.768   0.346   0.685  0.00  0.00    +0.124 C 
ATOM      4  N   LIG    1       -2.398  -0.498  -0.369  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1       -1.761  -0.292  -1.690  0.00  0.00    +0.124 C 
ATOM      6  C   LIG    1       -0.237  -0.544  -1.618  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        5.064   0.366   0.719  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        3.827   0.407   0.051  0.00  0.00    +0.103 A 
ATOM      9  C   LIG    1        3.821   0.648  -1.322  0.00  0.00    +0.068 A 
ATOM     10  N   LIG    1        2.493   0.635  -1.662  0.00  0.00    -0.326 N 
ATOM     11  H   LIG    1        2.109   0.836  -2.570  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        1.754   0.355  -0.542  0.00  0.00    +0.197 A 
ATOM     13  C   LIG    1        4.978   0.857  -2.077  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        6.198   0.810  -1.394  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1        2.538   0.224   0.501  0.00  0.00    -0.214 NA
ATOM     16  C   LIG    1        6.246   0.569  -0.019  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1        6.098  -0.733   2.603  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        6.040  -0.998   3.578  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.531  -1.385   1.965  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        5.124   0.133   2.175  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        4.373   0.674   2.974  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1       -3.799  -0.526  -0.308  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -4.426  -1.062   0.825  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -5.820  -1.116   0.912  0.00  0.00    +0.145 A 
ATOM     25  N   LIG    1       -6.618  -0.664  -0.094  0.00  0.00    -0.251 NA
ATOM     26  C   LIG    1       -6.007  -0.161  -1.184  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -4.631  -0.078  -1.334  0.00  0.00    +0.043 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.448  -1.731   2.153  0.00  0.00    +0.434 C 
ATOM     29  F   LIG    1       -7.778  -1.468   2.300  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1       -5.861  -1.296   3.309  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1       -6.332  -3.092   2.179  0.00  0.00    -0.164 F 
ENDBRANCH  24  28
ENDBRANCH   4  22
TORSDOF 4