REMARK  Name = BDB040770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.216  -0.273   0.259  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -3.213  -0.934   0.965  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1       -3.542  -1.843   1.895  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.862  -0.686   0.724  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.468   0.249  -0.239  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.467   0.905  -0.964  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.814   0.646  -0.711  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.738   1.296  -1.434  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       -9.747  -0.143  -0.096  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -8.532  -0.261   0.034  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -7.777   0.743   0.585  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -8.283   1.572   0.865  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -6.445   0.712   0.925  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -5.952   1.638   1.566  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.676  -0.551   0.542  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1       -6.344  -1.255  -0.644  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -7.803  -1.534  -0.320  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1       -0.104   0.497  -0.494  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        0.997   0.303   0.410  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        1.834   1.174  -0.547  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1        0.471   1.691  -1.047  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1        2.691   2.187   0.095  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        2.504   3.178   0.008  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        3.824   1.916   0.808  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        4.504   2.810   1.291  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.067   0.589   0.907  0.00  0.00    -0.437 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.261   0.227   1.609  0.00  0.00    +0.322 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.315  -0.117   0.650  0.00  0.00    -0.061 C 
ATOM     29  C   LIG    1        7.179  -0.397  -0.136  0.00  0.00    -0.096 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.211  -0.728  -1.074  0.00  0.00    +0.064 C 
ATOM     31  C   LIG    1        9.503  -1.303  -0.555  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        9.469   0.102  -1.085  0.00  0.00    +0.017 C 
ENDBRANCH  29  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 7