REMARK  Name = BDB057353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.970  -0.463   0.074  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -0.484  -0.329   0.137  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.388  -1.218   0.728  0.00  0.00    +0.147 A 
ATOM      4  N   LIG    1        1.712  -0.959   0.846  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1        2.219   0.165   0.321  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        1.451   1.050  -0.324  0.00  0.00    -0.222 NA
ATOM      7  N   LIG    1        0.020  -2.463   1.230  0.00  0.00    -0.321 N 
ATOM      8  H   LIG    1        0.852  -2.944   1.552  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -0.952  -3.249   0.744  0.00  0.00    +0.180 A 
ATOM     10  N   LIG    1       -0.884  -4.584   0.752  0.00  0.00    -0.154 NA
ATOM     11  N   LIG    1       -2.027  -4.970   0.159  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -2.200  -5.964   0.059  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -2.833  -3.935  -0.220  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -4.155  -4.135  -0.848  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -2.151  -2.801   0.150  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        0.130   0.785  -0.402  0.00  0.00    +0.128 A 
ATOM     17  N   LIG    1       -2.705  -1.533   0.040  0.00  0.00    -0.241 NA
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1       -5.087   4.428  -0.072  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.259   3.176  -0.046  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -3.331   2.963   0.983  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.584   1.784   1.030  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.763   0.810   0.042  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.712   0.997  -0.967  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.456   2.178  -1.009  0.00  0.00    +0.004 A 
ENDBRANCH   1  22
BRANCH   5  25
ATOM     25  N   LIG    1        3.566   0.421   0.454  0.00  0.00    -0.300 N 
ATOM     26  C   LIG    1        4.116   1.635  -0.131  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1        5.471   1.945   0.500  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        6.469   0.800   0.332  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1        5.793  -0.559   0.161  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        4.457  -0.644   0.895  0.00  0.00    +0.108 C 
ENDBRANCH   5  25
TORSDOF 2