REMARK  Name = BDB051316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.008  -0.197  -1.483  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -2.377   0.131  -1.147  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -3.157  -0.217  -2.254  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -4.549  -0.088  -2.293  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -5.184   0.408  -1.158  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.445   0.785  -0.035  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -5.196   1.301   1.149  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -6.419   1.270   1.212  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -4.453   1.823   2.180  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -5.009   2.283   2.891  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -3.076   2.197   1.987  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -2.308   1.104   1.255  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1       -2.310  -0.685  -3.229  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -2.607  -0.999  -4.143  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -3.029   0.678  -0.004  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -1.022  -0.675  -2.781  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        0.199  -0.047  -0.601  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.457  -0.767  -1.091  0.00  0.00    +0.109 C 
BRANCH  18  21
ATOM     19  O   LIG    1        4.166  -1.095  -1.716  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        3.850  -0.891  -0.550  0.00  0.00    +0.244 C 
ATOM     21  N   LIG    1        2.552  -0.655  -0.139  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        2.336  -0.839   0.832  0.00  0.00    +0.149 HD
BRANCH  20  23
ATOM     23  C   LIG    1        4.884  -0.932   0.517  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        6.040  -1.679   0.291  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        6.997  -1.712   1.287  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        6.877  -1.056   2.461  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        5.759  -0.322   2.644  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        4.741  -0.227   1.712  0.00  0.00    +0.033 A 
ENDBRANCH  20  23
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4