REMARK  Name = BDB051355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.496  -0.051   0.989  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.688  -1.052   0.431  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.627  -0.786  -0.002  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1       -1.399  -1.881  -0.674  0.00  0.00    +0.142 C 
ATOM      5  N   LIG    1       -2.595  -2.186   0.048  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1       -2.820  -3.155   0.227  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.707  -1.394   0.040  0.00  0.00    +0.261 C 
ATOM      8  C   LIG    1       -3.588  -0.004  -0.342  0.00  0.00    +0.109 A 
ATOM      9  N   LIG    1       -2.476   0.834  -0.268  0.00  0.00    -0.312 N 
ATOM     10  C   LIG    1       -2.884   2.106  -0.646  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1       -4.220   2.091  -0.961  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.663   0.775  -0.761  0.00  0.00    +0.033 A 
ATOM     13  O   LIG    1       -4.779  -1.920   0.335  0.00  0.00    -0.269 OA
ATOM     14  C   LIG    1       -1.145   0.511   0.142  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -0.333   1.518   0.693  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        0.969   1.237   1.115  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        2.905  -0.360   1.451  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1        3.877  -1.106  -0.670  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        3.981  -0.195   0.463  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        4.156   1.183   0.020  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 2