REMARK  Name = BDB062478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.172  -1.217  -0.401  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -0.196  -1.736  -0.638  0.00  0.00    +0.093 C 
ATOM      3  C   LIG    1       -0.648  -0.268  -0.904  0.00  0.00    -0.001 C 
ATOM      4  C   LIG    1       -1.147   0.516   0.318  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -2.575   0.094   0.663  0.00  0.00    +0.106 C 
ATOM      6  N   LIG    1       -3.448   0.254  -0.519  0.00  0.00    -0.329 N 
ATOM      7  C   LIG    1       -3.005  -0.501  -1.702  0.00  0.00    +0.106 C 
ATOM      8  C   LIG    1       -1.591  -0.070  -2.091  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1        0.853  -0.032  -1.236  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.818   0.230  -0.207  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -5.379   1.192   0.649  0.00  0.00    +0.134 A 
ATOM     12  N   LIG    1       -6.682   1.266   1.021  0.00  0.00    -0.249 NA
ATOM     13  C   LIG    1       -7.503   0.322   0.490  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1       -7.072  -0.670  -0.377  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.719  -0.707  -0.726  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -8.945   0.389   0.894  0.00  0.00    +0.262 C 
ATOM     17  N   LIG    1       -9.251   1.450   1.721  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1       -8.461   2.008   2.035  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1      -10.548   1.616   2.317  0.00  0.00    +0.128 C 
ATOM     20  O   LIG    1       -9.757  -0.446   0.514  0.00  0.00    -0.269 OA
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  21
ATOM     21  C   LIG    1        2.172  -2.073  -1.047  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1        8.043   0.309   0.478  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        7.260   0.143   1.748  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        7.733   0.426   2.843  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        5.983  -0.346   1.633  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        5.466  -0.447   2.496  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        5.404  -0.696   0.409  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        6.131  -0.554  -0.770  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        5.650  -0.870  -1.992  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1        4.383  -1.344  -2.030  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        3.570  -1.519  -0.910  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1        4.108  -1.189   0.340  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1        7.493  -0.038  -0.700  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1        9.486   2.341   0.805  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        9.447   0.833   0.600  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 5