REMARK  Name = BDB021151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.306  -0.398  -0.645  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.158  -1.126  -0.482  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        0.037  -2.308  -0.695  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.860  -0.203   0.010  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.264   1.032   0.158  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.968   2.123   0.620  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        2.323   1.931   0.930  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        2.942   0.669   0.780  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        2.192  -0.420   0.313  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -1.138   0.897  -0.234  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -1.956   1.793  -0.165  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.697  -1.380  -1.005  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.476  -1.250  -1.011  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.742  -1.409   0.138  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.273  -1.573   0.983  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.386  -1.236   0.305  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.879  -1.328   1.422  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.583  -1.008  -0.980  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.414  -0.216  -1.986  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.700  -0.975  -2.279  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1        4.295   0.421   1.083  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        4.628  -0.529   0.933  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        5.257   1.318   1.510  0.00  0.00    +0.232 C 
ATOM     24  O   LIG    1        5.076   2.518   1.705  0.00  0.00    -0.274 OA
BRANCH  23  25
ATOM     25  C   LIG    1        6.621   0.708   1.803  0.00  0.00    +0.204 C 
ATOM     26 CL   LIG    1        6.855  -0.868   1.010  0.00  0.00    -0.116 Cl
ENDBRANCH  23  25
ENDBRANCH   8  21
TORSDOF 3