REMARK  Name = BDB013917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.255  -0.697  -0.313  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        1.185   0.419  -0.332  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.533   1.602  -0.227  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.146   0.033  -0.534  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.567  -1.336  -0.568  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.072  -2.275   0.361  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.487  -3.616   0.287  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.395  -4.026  -0.686  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.899  -3.102  -1.593  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.845  -1.858   1.479  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.488  -1.768  -1.532  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.239  -1.496   0.989  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.690  -0.783  -0.887  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.564  -0.084  -0.523  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.693   0.888  -0.242  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.681  -1.987  -1.126  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.945   0.115  -1.027  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        7.211  -0.740  -1.022  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.837   2.233  -0.194  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.932   1.122   0.062  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.189   0.664   0.938  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.129   1.102  -0.793  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.367   1.088   0.102  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -3.685   1.099  -0.440  0.00  0.00    -0.036 A 
ATOM     25  C   LIG    1       -3.918   1.190  -1.936  0.00  0.00    +0.036 C 
ATOM     26  C   LIG    1       -5.350   1.547  -2.335  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.338   0.690  -1.563  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.221   0.988  -0.074  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -4.795   1.004   0.428  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -4.594   0.980   1.813  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -3.312   1.056   2.348  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -2.201   1.130   1.508  0.00  0.00    +0.125 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -0.914   1.253   1.964  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       -0.725   1.567   3.337  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6