REMARK  Name = BDB012524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.106   0.856   1.460  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        1.641   0.112   0.310  0.00  0.00    -0.344 N 
ATOM      3  C   LIG    1        0.347  -0.249   0.088  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -0.943  -0.143   0.806  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -1.833  -0.886  -0.156  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -1.115  -1.305  -1.318  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -1.504  -1.904  -2.306  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.245  -0.898  -1.103  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        1.515  -0.954  -1.676  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.391  -0.347  -0.773  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.182  -1.163   0.089  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.016  -1.666  -0.843  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.360  -1.921  -0.601  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -6.165  -2.449  -1.693  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.965  -1.665   0.630  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -7.157  -1.857   0.861  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -5.044  -1.134   1.681  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -5.680  -0.835   3.254  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -3.751  -0.914   1.407  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH  10  20
ATOM     20  C   LIG    1        3.805  -0.171  -0.832  0.00  0.00    +0.063 A 
ATOM     21  C   LIG    1        4.728  -0.696   0.250  0.00  0.00    +0.260 A 
ATOM     22  O   LIG    1        4.273  -1.253   1.249  0.00  0.00    -0.267 OA
ATOM     23  N   LIG    1        6.096  -0.486   0.042  0.00  0.00    -0.318 N 
ATOM     24  C   LIG    1        7.049  -0.966   1.032  0.00  0.00    +0.152 C 
ATOM     25  C   LIG    1        6.586   0.150  -1.084  0.00  0.00    +0.089 A 
ATOM     26  C   LIG    1        5.766   0.603  -2.037  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        4.343   0.429  -1.908  0.00  0.00    +0.017 A 
ENDBRANCH  10  20
BRANCH   4  28
ATOM     28  C   LIG    1       -1.374   1.298   1.038  0.00  0.00    -0.021 A 
ATOM     29  C   LIG    1       -1.703   2.152  -0.030  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -2.090   3.473   0.206  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -2.148   3.956   1.510  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -2.622   5.583   1.801  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -1.821   3.129   2.582  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -1.433   1.807   2.347  0.00  0.00    +0.007 A 
ENDBRANCH   4  28
TORSDOF 3