REMARK  Name = BDB013384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.141   0.296  -0.411  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.980   1.326  -0.889  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.373   1.185  -0.901  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        2.992   0.017  -0.446  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        4.471  -0.075  -0.487  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1        5.144  -1.354  -0.044  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1        6.630  -1.437  -0.408  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        7.334  -0.115  -0.141  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1        6.695   1.010  -0.954  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        5.189   0.982  -0.923  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        4.517   2.225  -1.408  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1        5.154   3.187  -1.824  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.168  -1.007   0.033  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1        3.153   2.244  -1.371  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1        2.720   3.092  -1.712  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.771  -0.872   0.048  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -1.401   0.495  -0.404  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -1.716   1.645   0.585  0.00  0.00    +0.032 C 
BRANCH  17  19
ATOM     19  C   LIG    1       -1.845   0.903  -1.768  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1       -2.136   1.278  -2.829  0.00  0.00    -0.196 NA
ENDBRANCH  17  19
BRANCH  17  21
ATOM     21  C   LIG    1       -2.170  -0.789   0.026  0.00  0.00    +0.084 C 
BRANCH  21  29
ATOM     22  C   LIG    1       -6.731  -0.657  -1.560  0.00  0.00    +0.173 C 
ATOM     23  N   LIG    1       -5.657  -0.610  -0.596  0.00  0.00    -0.266 N 
ATOM     24  C   LIG    1       -5.777  -0.404   0.756  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.474  -0.438   1.246  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.255  -0.256   2.624  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.354  -0.045   3.465  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.649  -0.015   2.950  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.660  -0.663   0.101  0.00  0.00    +0.073 A 
ATOM     30  C   LIG    1       -6.888  -0.194   1.585  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1       -4.391  -0.797  -1.010  0.00  0.00    -0.175 NA
ENDBRANCH  21  29
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 4