REMARK  Name = BDB046960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.122  -1.894  -1.228  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.979  -1.439  -1.210  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1        2.714  -0.102  -0.622  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        1.462   0.358  -0.157  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        1.336   1.623   0.432  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.461   2.462   0.545  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.700   2.023   0.085  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.012   1.773   0.840  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -0.706   0.618   0.527  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1        0.193  -0.204  -0.141  0.00  0.00    -0.337 N 
ATOM     11  C   LIG    1       -0.164  -1.462  -0.781  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1        0.629  -1.746  -2.045  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        3.822   0.759  -0.479  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1        1.975  -2.182  -1.764  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        2.312  -3.037  -2.191  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1       -2.103   0.288   0.827  0.00  0.00    +0.087 A 
ATOM     17  N   LIG    1       -2.343  -1.012   1.116  0.00  0.00    -0.254 NA
ATOM     18  C   LIG    1       -3.612  -1.348   1.436  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -4.663  -0.448   1.474  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.398   0.882   1.171  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.098   1.260   0.846  0.00  0.00    +0.030 A 
ENDBRANCH   9  16
TORSDOF 1