REMARK  Name = BDB036851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.362   0.165   1.111  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.647  -0.131   0.189  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.500   0.059  -1.252  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1       -0.210   0.059   2.328  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.836  -0.834   0.711  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        2.596  -1.679  -0.326  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.121  -2.683  -0.856  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.809  -1.190  -0.754  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.253  -1.725  -1.487  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.291   0.083  -0.585  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.214   0.502  -1.279  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.581   0.954   0.421  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.807   0.116   1.424  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  15
ATOM     14  C   LIG    1       -2.564  -0.133  -0.072  0.00  0.00    +0.132 A 
ATOM     15  C   LIG    1       -1.661   0.681   0.632  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -1.985   2.005   0.959  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -3.204   2.540   0.549  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.097   1.750  -0.173  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.782   0.421  -0.480  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -3.135  -2.305  -0.880  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.176  -1.423  -0.313  0.00  0.00    -0.494 OA
ENDBRANCH  14  21
ENDBRANCH   1  15
TORSDOF 3