REMARK  Name = BDB060512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.442   0.058  -0.648  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.789   1.380   0.046  0.00  0.00    -0.034 A 
ATOM      3  C   LIG    1       -0.314   1.684   1.333  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -0.640   2.894   1.950  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -1.449   3.812   1.288  0.00  0.00    +0.041 A 
ATOM      6 CL   LIG    1       -1.853   5.303   2.047  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1       -1.938   3.529   0.015  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.612   2.319  -0.602  0.00  0.00    +0.006 A 
ENDBRANCH   1   2
BRANCH   1  12
ATOM      9  C   LIG    1        3.841  -0.537  -1.000  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1        3.155  -1.168   0.031  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.774  -0.986   0.152  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.070  -0.178  -0.758  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1        1.793   0.459  -1.783  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.172   0.276  -1.905  0.00  0.00    +0.046 A 
BRANCH   9  15
ATOM     15  O   LIG    1        5.187  -0.687  -1.155  0.00  0.00    -0.507 OA
ATOM     16  H   LIG    1        5.516  -1.259  -0.442  0.00  0.00    +0.292 HD
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  C   LIG    1       -1.235  -1.150  -0.126  0.00  0.00    +0.053 A 
ATOM     18  N   LIG    1       -1.453  -1.269   1.212  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1       -2.137  -2.350   1.647  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -2.607  -3.349   0.814  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.362  -3.236  -0.547  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -1.667  -2.128  -1.026  0.00  0.00    +0.024 A 
ENDBRANCH   1  17
TORSDOF 4