REMARK  Name = BDB041263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.375  -0.837  -2.511  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.923   0.123  -3.629  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1       -6.056   0.853   1.667  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -6.284  -0.607   1.272  0.00  0.00    +0.271 A 
ATOM      5  O   LIG    1       -7.218  -1.246   1.732  0.00  0.00    -0.266 OA
ATOM      6  N   LIG    1       -5.381  -1.129   0.381  0.00  0.00    -0.319 N 
ATOM      7  H   LIG    1       -5.508  -2.092   0.104  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -4.324  -0.365  -0.122  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -4.184   0.965   0.298  0.00  0.00    +0.088 A 
ATOM     10  C   LIG    1       -3.119   1.713  -0.200  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -2.212   1.151  -1.105  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.360  -0.176  -1.542  0.00  0.00    -0.028 A 
ATOM     13  C   LIG    1       -3.426  -0.934  -1.026  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -5.070   1.569   1.208  0.00  0.00    -0.245 NA
BRANCH   3  16
ATOM     15  C   LIG    1       -6.626   1.089   4.077  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -7.022   1.455   2.659  0.00  0.00    +0.057 C 
ENDBRANCH   3  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  N   LIG    1       -0.360  -1.568  -1.737  0.00  0.00    -0.289 NA
ATOM     18  C   LIG    1        0.622  -2.306  -2.554  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        1.702  -1.910  -1.507  0.00  0.00    +0.201 C 
ATOM     20  C   LIG    1        0.730  -0.737  -1.191  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        2.997  -1.576  -2.055  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.930  -1.001  -1.234  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        5.046  -0.448  -1.852  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        6.061   0.158  -1.195  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        5.963   0.213   0.155  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        4.888  -0.318   0.864  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        3.858  -0.937   0.154  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.089   0.889   0.879  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        7.501   0.274   2.054  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        7.233  -0.690   2.205  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        8.665   0.761   2.751  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        7.606   1.910   0.441  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 6