REMARK  Name = BDB012515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.930  -4.677   1.140  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.151  -3.359   0.497  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.189  -2.364   0.258  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        0.210  -2.073   0.428  0.00  0.00    +0.254 C 
ATOM      5  N   LIG    1        0.406  -0.769  -0.126  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.883  -0.192  -0.649  0.00  0.00    +0.159 C 
ATOM      7  O   LIG    1        1.008  -2.846   0.931  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.800  -1.311  -0.351  0.00  0.00    +0.056 A 
ATOM      9  N   LIG    1       -3.115  -1.581  -0.516  0.00  0.00    -0.351 N 
ATOM     10  C   LIG    1       -4.112  -0.724  -1.110  0.00  0.00    +0.148 C 
ATOM     11  C   LIG    1       -3.346  -2.840   0.003  0.00  0.00    +0.089 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.636  -0.115  -0.258  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        1.789   1.007  -0.990  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.005   1.659  -1.130  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        3.055   2.861  -1.948  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        4.174   1.200  -0.531  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1        5.270   1.742  -0.649  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        4.030  -0.033   0.301  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        5.263  -0.532   0.983  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1        2.826  -0.622   0.409  0.00  0.00    +0.033 A 
ENDBRANCH   5  12
BRANCH   6  21
ATOM     21  C   LIG    1       -1.310   1.100   0.029  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -1.829   2.154  -0.745  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -2.241   3.345  -0.142  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.144   3.493   1.240  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -2.654   4.960   1.979  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -1.641   2.459   2.024  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.229   1.267   1.423  0.00  0.00    +0.007 A 
ENDBRANCH   6  21
TORSDOF 2