REMARK  Name = BDB044529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.269   1.342   0.401  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.085   0.972   0.189  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.239  -0.353  -0.197  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.382  -1.007  -0.472  0.00  0.00    +0.096 A 
ATOM      5  N   LIG    1       -2.133  -2.345  -0.831  0.00  0.00    -0.149 NA
ATOM      6  N   LIG    1       -0.864  -2.517  -0.779  0.00  0.00    -0.148 NA
ATOM      7  C   LIG    1       -3.574  -0.318  -0.371  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -3.536   1.036   0.015  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.287  -1.286  -0.386  0.00  0.00    +0.104 A 
ATOM     10  C   LIG    1        1.046  -0.934  -0.182  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        2.093  -1.857  -0.360  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        3.418  -1.479  -0.149  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.714  -0.177   0.242  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.687   0.753   0.424  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -2.309   1.683   0.294  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.337   0.407   0.220  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  17
ATOM     17  O   LIG    1        0.589   2.621   0.787  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1       -0.224   3.141   0.870  0.00  0.00    +0.292 HD
ENDBRANCH   1  17
TORSDOF 1