REMARK  Name = BDB057436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.837   3.584   0.250  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.501   2.216   0.316  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1        0.816   1.837   0.015  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.095   0.457   0.088  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1        0.161  -0.442   0.437  0.00  0.00    -0.216 NA
ATOM      6  C   LIG    1       -1.065   0.014   0.718  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1        1.773   2.827  -0.321  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        1.424   4.171  -0.380  0.00  0.00    +0.004 A 
ATOM      9  N   LIG    1       -1.427   1.306   0.661  0.00  0.00    -0.228 NA
ATOM     10  C   LIG    1        0.118   4.550  -0.099  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.536   5.254   0.544  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -2.149   3.888   0.547  0.00  0.00    -0.493 OA
ENDBRANCH   1  12
BRANCH   4  13
ATOM     13  N   LIG    1        2.392  -0.003  -0.261  0.00  0.00    -0.282 N 
ATOM     14  H   LIG    1        2.617   0.330  -1.189  0.00  0.00    +0.155 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.982  -1.153   0.141  0.00  0.00    +0.146 A 
ATOM     16  N   LIG    1        2.808  -1.792   1.300  0.00  0.00    -0.158 NA
ATOM     17  N   LIG    1        3.617  -2.855   1.228  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1        3.623  -3.502   2.009  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1        4.354  -2.908   0.079  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        5.326  -3.987  -0.193  0.00  0.00    +0.065 C 
ATOM     21  C   LIG    1        3.966  -1.803  -0.647  0.00  0.00    +0.068 A 
ENDBRANCH  13  15
ENDBRANCH   4  13
BRANCH   6  22
ATOM     22  C   LIG    1       -2.116  -0.995   1.104  0.00  0.00    +0.111 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.850  -1.583  -0.080  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -4.011  -0.972  -0.574  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.679  -1.509  -1.675  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.190  -2.657  -2.297  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.029  -3.265  -1.823  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.359  -2.729  -0.722  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 5