REMARK  Name = BDB051743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.272   2.341   1.597  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -2.085   1.520   0.923  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -2.050   1.627  -0.413  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -2.911   0.755  -1.188  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -3.634  -0.338  -0.815  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -3.730  -0.925   0.501  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -4.304  -0.908  -1.846  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -4.004  -0.135  -2.916  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -3.127   0.911  -2.543  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.517   2.035  -3.309  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.220   2.540  -2.625  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -1.260   2.524  -1.116  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -0.461   3.309  -0.327  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.452   3.234   1.018  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -4.562  -0.412  -4.247  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -4.340   0.268  -5.243  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -5.371  -1.513  -4.295  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -5.838  -1.758  -5.153  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -5.553  -2.011  -3.430  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -1.315   2.222   2.979  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.829   1.369   3.163  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -0.023   2.269   3.640  0.00  0.00    +0.139 C 
BRANCH  22  25
ATOM     23  C   LIG    1        1.991  -0.789   2.474  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        1.403   0.485   2.546  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        0.627   0.904   3.644  0.00  0.00    -0.029 A 
ATOM     26  C   LIG    1        0.434   0.023   4.710  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        1.023  -1.236   4.681  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        1.792  -1.629   3.579  0.00  0.00    +0.023 A 
BRANCH  23  33
ATOM     29  C   LIG    1        4.959  -1.619  -2.045  0.00  0.00    +0.105 C 
ATOM     30  N   LIG    1        4.059  -2.263  -1.093  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1        4.656  -2.275   0.261  0.00  0.00    +0.103 C 
ATOM     32  C   LIG    1        3.619  -2.354   1.404  0.00  0.00    +0.120 C 
ATOM     33  N   LIG    1        2.735  -1.178   1.372  0.00  0.00    -0.327 N 
ATOM     34  C   LIG    1        2.460  -0.606   0.041  0.00  0.00    +0.120 C 
ATOM     35  C   LIG    1        2.721  -1.634  -1.086  0.00  0.00    +0.103 C 
ENDBRANCH  23  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5