REMARK  Name = BDB036844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.207   1.248   1.023  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.505  -0.169   0.808  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.531  -1.166   0.954  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.804  -2.345   1.171  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.916  -0.615   0.882  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -3.949   0.499   1.128  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -4.084   1.060   2.215  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.636   0.962   0.029  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -5.241   1.754   0.196  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.384   0.676  -1.288  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -4.869   1.361  -2.184  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.433  -0.460  -1.567  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.332  -1.397  -0.374  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        0.897  -0.814   0.809  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        1.362  -0.240  -0.382  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        2.712   0.051  -0.476  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        3.453   0.629  -1.642  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1        4.764   1.067  -0.974  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1        4.997   0.114   0.207  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1        3.590  -0.244   0.575  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1        3.142  -0.844   1.741  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.781  -1.133   1.856  0.00  0.00    +0.013 A 
ENDBRANCH   3  14
TORSDOF 2