REMARK  Name = BDB040739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.131   1.962  -1.276  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1        1.211   2.071  -0.183  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1        2.130   1.509  -1.134  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1        1.071   0.917  -1.909  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.398   0.957  -0.868  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        4.140   1.362   0.246  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.400   0.818   0.497  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        6.077   1.241   1.574  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        5.968  -0.138  -0.346  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.228  -0.524  -1.462  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1        5.734  -1.424  -2.318  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        3.967   0.011  -1.728  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1        7.330  -0.736  -0.074  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        7.413  -1.395   1.301  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        6.469  -1.975   1.834  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        8.646  -1.385   1.910  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        8.696  -1.845   2.808  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        9.840  -0.947   1.394  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       10.894  -1.119   2.000  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        9.791  -0.325   0.021  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1        8.436   0.311  -0.243  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1       -2.088   0.905  -1.664  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1       -1.175   1.459  -0.819  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1       -1.470   1.510   0.147  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1       -1.932   0.750  -2.865  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1       -3.188   0.552  -0.958  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.225  -0.050  -1.745  0.00  0.00    +0.237 C 
BRANCH  27  32
ATOM     28  C   LIG    1       -7.727  -0.864   2.840  0.00  0.00    +0.011 C 
ATOM     29  C   LIG    1       -7.278  -0.750   1.370  0.00  0.00    -0.035 C 
ATOM     30  C   LIG    1       -6.244  -1.864   1.062  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -5.029  -1.394   0.255  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -5.420  -0.410  -0.851  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1       -6.084   0.849  -0.260  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -6.662   0.645   1.144  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -8.531  -0.927   0.487  0.00  0.00    +0.011 C 
ENDBRANCH  27  32
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6