REMARK  Name = BDB013229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.803   0.471  -0.055  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.026  -0.462  -0.790  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.339  -0.330  -0.715  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.843  -1.286  -1.547  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.138  -1.996  -2.058  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.972   0.651   0.054  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.254   1.529   0.703  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.321  -1.474  -1.579  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.121   1.417   0.627  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.035   0.601  -0.021  0.00  0.00    +0.041 A 
ATOM     11  N   LIG    1        5.397   0.154   1.086  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1        4.039   0.094   1.071  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        3.405  -0.443   2.323  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        3.276   0.498  -0.032  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.962   0.947  -1.166  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.353   0.997  -1.165  0.00  0.00    +0.024 A 
BRANCH  10  18
ATOM     17  C   LIG    1        8.130  -0.679  -0.511  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        7.541   0.619   0.019  0.00  0.00    +0.052 C 
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1       -2.347   0.726   0.119  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.574   1.622   0.555  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.085  -0.310   0.842  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.545   0.037   0.885  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -5.334   0.126  -0.259  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.969  -0.016  -1.689  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.369  -0.083  -2.300  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -7.309   0.532  -1.391  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.679   0.466  -0.176  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.302   0.728   1.027  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.537   0.631   2.188  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.180   0.287   2.109  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.478   0.209   3.248  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5