REMARK  Name = BDB051619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.715   0.179  -0.426  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.092   0.754   0.553  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.489   0.702   0.447  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        2.100   0.069  -0.644  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        1.293  -0.509  -1.630  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.103  -0.451  -1.517  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.522   0.028  -0.726  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1        4.283   0.589   0.249  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        5.565   0.419  -0.115  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        5.588  -0.320  -1.352  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        6.701  -0.741  -2.071  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        7.898  -0.351  -1.438  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.944   0.383  -0.213  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.782   0.795   0.493  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        4.291  -0.550  -1.714  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1        6.849   1.571   1.740  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        6.076   2.479   2.005  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        7.853   1.229   2.608  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        8.313   0.332   2.554  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        7.803   1.672   3.517  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  22
ATOM     21  C   LIG    1       -2.951   0.749   0.565  0.00  0.00    +0.222 C 
ATOM     22  N   LIG    1       -2.126   0.184  -0.397  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1       -2.581  -0.260  -1.184  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -2.582   1.364   1.560  0.00  0.00    -0.275 OA
BRANCH  21  28
ATOM     25  C   LIG    1       -6.601  -1.236  -1.159  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -6.213  -1.271   0.249  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1       -4.791  -0.957   0.456  0.00  0.00    +0.096 C 
ATOM     28  C   LIG    1       -4.434   0.527   0.262  0.00  0.00    +0.089 C 
ATOM     29  C   LIG    1       -5.328   1.401   1.150  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -6.802   1.078   0.928  0.00  0.00    +0.016 C 
ATOM     31  C   LIG    1       -7.072  -0.420   1.085  0.00  0.00    +0.084 C 
ENDBRANCH  21  28
ENDBRANCH   1  22
TORSDOF 4