REMARK  Name = BDB011644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.491  -1.474  -1.714  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.496  -0.841  -0.988  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.219  -0.064  -0.398  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.314  -2.461  -2.419  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.825  -1.144  -0.873  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.619  -0.461   0.194  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.157   0.435   0.885  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.904  -0.998   0.172  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -3.989  -1.879  -0.948  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.715  -3.127  -0.679  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.701  -1.933  -1.516  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.479  -2.753  -2.746  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.089  -0.222   0.542  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.256   1.038  -0.323  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.507   1.823   0.067  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -6.521   2.161   1.554  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.354   0.914   2.418  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.098   0.132   2.037  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        1.938  -0.225   0.994  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.448  -0.300  -0.397  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.678   0.135  -0.856  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1        3.786  -0.155  -2.178  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1        2.644  -0.778  -2.619  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.822  -0.862  -1.560  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.836   0.821  -0.208  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1        5.260  -0.036   0.860  0.00  0.00    -0.369 OA
ATOM     27  C   LIG    1        6.656  -0.011   1.157  0.00  0.00    +0.164 C 
ATOM     28  C   LIG    1        7.248   1.389   1.007  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        8.695   1.443   1.484  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        7.123   1.858  -0.449  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1        5.970   1.167  -1.176  0.00  0.00    +0.040 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4