REMARK  Name = BDB040765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.190   0.260  -1.734  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -1.249  -0.831  -1.984  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.996  -0.256  -0.899  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -1.331   1.014  -1.024  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.347  -0.483  -0.574  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.993  -1.663  -0.955  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -5.327  -1.884  -0.614  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -5.909  -3.021  -1.023  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -6.066  -0.958   0.124  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.411   0.215   0.500  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -6.068   1.162   1.183  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.077   0.452   0.167  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -7.514  -1.248   0.460  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -7.925  -0.787   1.853  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -7.484  -1.308   2.876  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.793   0.275   1.931  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -9.028   0.578   2.866  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -9.194   1.112   0.921  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.838   2.129   1.160  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.746   0.752  -0.474  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -8.492  -0.740  -0.605  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        1.962   0.682  -0.553  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        0.922  -0.147  -0.847  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        0.839  -0.955  -0.243  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.153   1.778  -1.058  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        2.746   0.105   0.388  0.00  0.00    -0.444 OA
BRANCH  26  29
ATOM     27  N   LIG    1        5.931   0.887   0.836  0.00  0.00    -0.308 N 
ATOM     28  C   LIG    1        5.006   1.128  -0.232  0.00  0.00    +0.153 C 
ATOM     29  C   LIG    1        3.877   0.910   0.796  0.00  0.00    +0.212 C 
ATOM     30  C   LIG    1        4.956   0.181   1.617  0.00  0.00    +0.153 C 
BRANCH  27  35
ATOM     31  C   LIG    1       11.352  -0.725   0.401  0.00  0.00    +0.045 C 
ATOM     32  C   LIG    1        9.935  -0.257   0.492  0.00  0.00    -0.032 A 
ATOM     33  C   LIG    1        9.094  -0.706   1.500  0.00  0.00    +0.116 A 
ATOM     34  N   LIG    1        7.795  -0.347   1.627  0.00  0.00    -0.240 NA
ATOM     35  C   LIG    1        7.276   0.494   0.707  0.00  0.00    +0.121 A 
ATOM     36  C   LIG    1        8.051   0.988  -0.341  0.00  0.00    +0.044 A 
ATOM     37  C   LIG    1        9.387   0.603  -0.454  0.00  0.00    +0.008 A 
ENDBRANCH  27  35
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6