REMARK  Name = BDB048747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.027  -1.654  -0.087  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.012  -1.146  -0.913  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.862  -2.210  -1.113  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1       -0.315  -3.256  -0.433  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1       -0.665  -4.206  -0.354  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1        0.832  -2.952   0.188  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.657   0.794   0.986  0.00  0.00    +0.140 A 
ATOM      8  N   LIG    1        2.495   0.470   0.330  0.00  0.00    -0.333 N 
ATOM      9  H   LIG    1        1.899   1.112  -0.171  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        2.265  -0.872   0.500  0.00  0.00    +0.159 A 
ATOM     11  N   LIG    1        3.220  -1.404   1.240  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        4.086  -0.387   1.540  0.00  0.00    +0.143 A 
BRANCH   7  14
ATOM     13  F   LIG    1        3.474   2.995   0.236  0.00  0.00    -0.164 F 
ATOM     14  C   LIG    1        4.206   2.155   1.014  0.00  0.00    +0.434 C 
ATOM     15  F   LIG    1        5.479   2.201   0.555  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        4.207   2.677   2.263  0.00  0.00    -0.164 F 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1       -0.184   0.146  -1.486  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -1.240   0.967  -1.347  0.00  0.00    +0.010 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.436   0.736  -0.528  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -3.704   0.913  -1.075  0.00  0.00    +0.118 A 
ATOM     21  N   LIG    1       -4.864   0.750  -0.394  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1       -4.755   0.400   0.905  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -3.545   0.211   1.552  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.370   0.388   0.824  0.00  0.00    +0.011 A 
ENDBRANCH  18  19
ENDBRANCH   2  17
TORSDOF 4