REMARK  Name = BDB055938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.872  -1.210   0.105  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -2.227  -0.848  -0.092  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -3.081  -1.905  -0.453  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1       -4.449  -1.693  -0.558  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1       -5.015  -2.500  -0.776  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1       -5.081  -0.511  -0.308  0.00  0.00    +0.258 A 
ATOM      7  C   LIG    1       -4.222   0.662  -0.013  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.847   1.911   0.142  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -4.081   3.054   0.336  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.697   2.948   0.353  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.079   1.699   0.201  0.00  0.00    +0.009 A 
ATOM     12  O   LIG    1       -6.304  -0.418  -0.344  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1       -2.707  -3.184  -0.674  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -1.410  -3.475  -0.500  0.00  0.00    +0.115 A 
ATOM     15  C   LIG    1       -2.820   0.512   0.050  0.00  0.00    -0.000 A 
ATOM     16  C   LIG    1       -0.477  -2.544  -0.096  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1        0.067  -0.303   0.674  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1       -0.136  -0.200   1.668  0.00  0.00    +0.152 HD
BRANCH  17  22
ATOM     19  C   LIG    1        4.242   0.083  -0.076  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.370  -0.375  -1.071  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        1.996  -0.506  -0.836  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        1.456  -0.231   0.422  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        2.321   0.225   1.421  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        3.697   0.353   1.182  0.00  0.00    +0.025 A 
BRANCH  19  26
ATOM     25  C   LIG    1        6.496   0.896   0.498  0.00  0.00    +0.125 C 
ATOM     26  N   LIG    1        5.612   0.122  -0.354  0.00  0.00    -0.347 N 
ATOM     27  H   LIG    1        5.791   0.271  -1.344  0.00  0.00    +0.146 HD
ENDBRANCH  19  26
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 3