REMARK  Name = BDB055747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.120  -2.012   0.332  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.356  -1.321   0.234  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.548  -2.056   0.175  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.519  -3.451   0.206  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.290  -4.119   0.292  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.086  -3.406   0.355  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.332   0.095   0.196  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        1.991   0.742   1.360  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        3.239   1.557   0.952  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        2.957   2.606  -0.052  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        4.191   3.050  -0.694  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        1.947   2.165  -1.038  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        1.746   0.635  -1.121  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -2.340  -1.556   0.561  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1       -1.023  -1.188   0.402  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -0.774  -0.202   0.404  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -2.757  -2.698   0.714  0.00  0.00    -0.270 OA
BRANCH  14  21
ATOM     18  C   LIG    1       -3.826   3.043  -0.912  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.037   1.797  -0.103  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -3.103   0.752  -0.153  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -3.315  -0.426   0.579  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -4.485  -0.571   1.332  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -5.424   0.460   1.373  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.201   1.637   0.659  0.00  0.00    +0.003 A 
ENDBRANCH  14  21
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  N   LIG    1        1.271  -5.587   0.317  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        0.175  -6.158   0.236  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        2.360  -6.172   0.412  0.00  0.00    -0.126 OA
ENDBRANCH   5  25
TORSDOF 4