REMARK  Name = BDB050612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.501  -1.308   0.898  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1       -0.648  -0.772   0.460  0.00  0.00    -0.016 C 
ATOM      3  C   LIG    1       -1.974  -1.382   0.603  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.875  -0.480   0.001  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -4.232  -0.760  -0.036  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.666  -1.952   0.539  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -3.775  -2.851   1.139  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -5.972  -2.250   0.516  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -2.135   0.683  -0.515  0.00  0.00    -0.028 C 
ATOM     10  C   LIG    1       -2.408  -2.568   1.176  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.831   0.487  -0.244  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        4.361   0.482   0.471  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.426   1.025   1.356  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        2.162   0.447   1.501  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        1.819  -0.684   0.756  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        2.755  -1.232  -0.126  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        4.021  -0.650  -0.270  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.545   0.628  -0.457  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.556   1.145   0.426  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   9  20
ATOM     20  C   LIG    1       -2.758   1.827  -1.237  0.00  0.00    +0.156 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.523   2.750  -0.312  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1       -3.571   2.738   0.906  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -4.204   3.692  -1.002  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1       -4.637   4.225  -0.301  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   9  20
TORSDOF 5