REMARK  Name = BDB040700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.648  -2.398   1.553  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.854  -2.340   1.934  0.00  0.00    +0.132 C 
ATOM      3  N   LIG    1       -1.087  -1.711   0.664  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1        0.280  -1.288   0.534  0.00  0.00    +0.132 C 
ATOM      5  C   LIG    1        1.105  -3.732   0.976  0.00  0.00    +0.035 C 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.241  -1.025   0.243  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -2.182  -0.078  -0.785  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -3.333   0.589  -1.206  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1       -3.222   1.499  -2.185  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.577   0.338  -0.632  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.629  -0.614   0.386  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -5.800  -0.892   0.978  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.488  -1.290   0.819  0.00  0.00    +0.062 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -5.813   1.068  -1.108  0.00  0.00    +0.111 C 
ATOM     15  C   LIG    1       -6.902   0.114  -1.596  0.00  0.00    +0.227 C 
ATOM     16  O   LIG    1       -6.665  -0.947  -2.170  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1       -8.201   0.535  -1.436  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1       -8.912  -0.093  -1.785  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -8.645   1.755  -0.992  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -9.836   2.048  -1.028  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -7.588   2.731  -0.539  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -6.357   2.003  -0.022  0.00  0.00    +0.027 C 
ENDBRANCH  10  14
ENDBRANCH   3   6
BRANCH   1  24
ATOM     23  C   LIG    1        2.775  -1.388   2.519  0.00  0.00    +0.401 C 
ATOM     24  N   LIG    1        1.551  -1.981   2.654  0.00  0.00    -0.273 N 
ATOM     25  H   LIG    1        1.291  -2.121   3.623  0.00  0.00    +0.153 HD
ATOM     26  O   LIG    1        3.446  -1.064   3.489  0.00  0.00    -0.226 OA
BRANCH  23  27
ATOM     27  O   LIG    1        3.135  -1.206   1.225  0.00  0.00    -0.444 OA
BRANCH  27  33
ATOM     28  C   LIG    1        8.400   1.975  -1.484  0.00  0.00    +0.133 C 
ATOM     29  N   LIG    1        7.004   1.614  -1.321  0.00  0.00    -0.292 N 
ATOM     30  C   LIG    1        6.479   1.614  -0.036  0.00  0.00    +0.305 C 
ATOM     31  N   LIG    1        5.200   1.115   0.097  0.00  0.00    -0.278 N 
ATOM     32  C   LIG    1        4.535   0.917   1.391  0.00  0.00    +0.155 C 
ATOM     33  C   LIG    1        4.424  -0.575   1.042  0.00  0.00    +0.213 C 
ATOM     34  C   LIG    1        4.758  -0.190  -0.406  0.00  0.00    +0.155 C 
ATOM     35  O   LIG    1        7.117   2.017   0.936  0.00  0.00    -0.252 OA
ATOM     36  C   LIG    1        6.190   1.671  -2.526  0.00  0.00    +0.133 C 
ENDBRANCH  27  33
ENDBRANCH  23  27
ENDBRANCH   1  24
TORSDOF 5