REMARK  Name = BDB013168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.311   0.092  -0.181  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -1.434   1.102   0.290  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.106   0.770   0.401  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.502   1.871   0.928  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.377   2.835   1.083  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.400  -0.486   0.054  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.414  -1.423  -0.353  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.602   2.350   0.676  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.755  -1.107  -0.463  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.967   0.691  -0.897  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -6.486   0.536  -0.733  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1       -6.013   0.399   0.527  0.00  0.00    -0.256 NA
ATOM     13  C   LIG    1       -4.670   0.273   0.707  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -4.219   0.144   2.134  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1       -3.765   0.257  -0.361  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -4.283   0.393  -1.655  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -5.654   0.539  -1.845  0.00  0.00    +0.023 A 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1        1.747  -0.763   0.161  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.849  -1.776   0.072  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.675  -0.146  -0.787  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.062  -0.672  -0.555  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.786  -0.402   0.604  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.399   0.350   1.821  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.765   0.452   2.501  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.627  -0.591   1.991  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.058  -0.929   0.791  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.669  -1.736  -0.146  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.969  -2.013  -1.320  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.686  -1.482  -1.514  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        4.041  -1.778  -2.651  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4