REMARK  Name = BDB036826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.261  -2.089  -0.672  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -1.064  -1.649  -0.604  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -2.067  -2.459  -1.288  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1        0.611  -3.173  -1.129  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.465  -0.311  -0.112  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -1.550   0.712  -1.261  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -0.966   0.586  -2.335  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -2.282   1.848  -0.998  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -2.323   2.528  -1.746  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -3.096   2.095   0.079  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -3.773   3.117   0.140  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.071   1.076   1.193  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.789  -0.319   0.655  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     14  C   LIG    1        3.287   0.410   0.786  0.00  0.00    +0.214 A 
ATOM     15  N   LIG    1        2.876   0.576  -0.492  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1        1.911  -0.265  -0.935  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        1.320  -1.230  -0.134  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        1.764  -1.390   1.177  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.768  -0.548   1.647  0.00  0.00    +0.068 A 
BRANCH  14  21
ATOM     20  C   LIG    1        4.801   2.140   0.352  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1        4.270   1.227   1.308  0.00  0.00    -0.480 OA
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3