REMARK  Name = BDB051704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.334   1.583   0.603  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.318   0.873  -0.136  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1        0.480  -0.198  -0.959  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.677  -0.929  -1.339  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1        1.491  -2.116  -2.034  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        0.118  -2.688  -2.291  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -1.011  -1.631  -2.380  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        2.651  -2.758  -2.375  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        3.872  -2.271  -2.090  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        3.941  -1.104  -1.428  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        2.873  -0.405  -1.024  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -0.785  -0.515  -1.417  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.667   0.429  -0.826  0.00  0.00    +0.153 A 
ATOM     14  N   LIG    1       -0.973   1.269  -0.024  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -3.133   0.525  -1.024  0.00  0.00    +0.290 C 
ATOM     16  N   LIG    1       -3.823   1.525  -0.356  0.00  0.00    -0.174 N 
ATOM     17  O   LIG    1       -3.711  -0.261  -1.779  0.00  0.00    -0.266 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.243   2.378   0.607  0.00  0.00    -0.292 OA
ATOM     19  H   LIG    1       -2.292   2.128   0.602  0.00  0.00    +0.242 HD
ENDBRANCH  16  18
BRANCH  16  20
ATOM     20  C   LIG    1       -5.275   1.571  -0.318  0.00  0.00    +0.175 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.853   0.693   0.769  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1       -5.963   1.168   2.083  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.484   0.353   3.090  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.894  -0.945   2.794  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.778  -1.433   1.494  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.257  -0.620   0.486  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH  13  15
BRANCH  10  27
ATOM     27  N   LIG    1        5.229  -0.670  -1.202  0.00  0.00    -0.311 N 
ATOM     28  H   LIG    1        5.822  -1.466  -1.412  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.618   0.080  -0.027  0.00  0.00    +0.073 C 
ATOM     30  C   LIG    1        5.217   1.554  -0.052  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1        5.040   1.952   1.417  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        5.378   0.715   2.243  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        5.110  -0.454   1.306  0.00  0.00    +0.022 C 
ENDBRANCH  27  29
ENDBRANCH  10  27
TORSDOF 6