REMARK  Name = BDB041278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.973   1.241  -0.895  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.916   1.403  -2.422  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1       -6.803  -0.895   1.017  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -6.734   0.603   1.323  0.00  0.00    +0.271 A 
ATOM      5  O   LIG    1       -7.676   1.185   1.839  0.00  0.00    -0.266 OA
ATOM      6  N   LIG    1       -5.561   1.226   0.982  0.00  0.00    -0.319 N 
ATOM      7  H   LIG    1       -5.494   2.215   1.175  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -4.504   0.526   0.394  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -4.651  -0.847   0.144  0.00  0.00    +0.088 A 
ATOM     10  C   LIG    1       -3.593  -1.536  -0.444  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -2.409  -0.871  -0.777  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.259   0.503  -0.525  0.00  0.00    -0.028 A 
ATOM     13  C   LIG    1       -3.326   1.200   0.064  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -5.825  -1.552   0.463  0.00  0.00    -0.245 NA
BRANCH   3  16
ATOM     15  C   LIG    1       -9.116  -1.413   0.261  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -8.088  -1.607   1.360  0.00  0.00    +0.057 C 
ENDBRANCH   3  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  N   LIG    1        0.225   0.525  -0.417  0.00  0.00    -0.289 NA
ATOM     18  C   LIG    1        1.438   1.375  -0.482  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        1.824   0.874   0.932  0.00  0.00    +0.201 C 
ATOM     20  C   LIG    1        0.317   0.549   1.065  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        2.718  -0.263   1.030  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.044  -0.091   0.738  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.802  -1.251   0.599  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        6.127  -1.273   0.316  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        6.724  -0.058   0.170  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        6.053   1.153   0.294  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.689   1.132   0.586  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        8.190  -0.070  -0.146  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        8.745  -1.331  -0.205  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        8.093  -2.107  -0.122  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       10.102  -1.560  -0.620  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        8.812   0.968  -0.342  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 6