REMARK  Name = BDB051719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.260  -1.936   1.145  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -2.205  -2.369   0.306  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.933  -3.667  -0.375  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -1.004  -3.470  -1.601  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        0.079  -2.440  -1.394  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.094  -1.358  -0.543  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1        0.817  -0.399  -0.341  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1        1.945  -0.496  -1.054  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        2.208  -1.487  -1.920  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        1.267  -2.437  -2.079  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -1.327  -1.305   0.222  0.00  0.00    +0.092 A 
ATOM     12  N   LIG    1       -1.902  -0.285   0.927  0.00  0.00    -0.257 N 
ATOM     13  N   LIG    1       -3.061  -0.659   1.540  0.00  0.00    -0.165 NA
ENDROOT
BRANCH   1  17
ATOM     14  N   LIG    1       -5.283  -2.006   2.401  0.00  0.00    -0.324 N 
ATOM     15  H   LIG    1       -6.099  -2.457   2.782  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -5.033  -1.058   2.656  0.00  0.00    +0.145 HD
ATOM     17  C   LIG    1       -4.434  -2.704   1.585  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -4.656  -3.869   1.270  0.00  0.00    -0.269 OA
ENDBRANCH   1  17
BRANCH   8  19
ATOM     19  N   LIG    1        2.937   0.463  -0.933  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        3.769   0.064  -1.355  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.117   1.058   0.383  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        3.815   0.094   1.355  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1        5.268   0.546   1.387  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        5.154   2.056   1.297  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        4.060   2.271   0.258  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   8  19
BRANCH  12  26
ATOM     26  C   LIG    1       -1.442   1.091   1.084  0.00  0.00    +0.179 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.853   1.961  -0.080  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -0.900   2.436  -0.992  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -1.284   3.236  -2.069  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.624   3.574  -2.245  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.581   3.111  -1.345  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.199   2.309  -0.269  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  12  26
TORSDOF 5