REMARK  Name = BDB039623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.058  -0.204   1.167  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.478  -1.038   2.236  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.046  -0.558   2.570  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.905  -0.631   1.437  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.204  -0.467   0.144  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.110   0.349   0.184  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.190   0.017   0.604  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.713  -0.983   1.372  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.371  -1.032   1.535  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.930  -2.061   2.279  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.432  -0.139   0.971  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.999   0.878   0.188  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.379   0.965  -0.004  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.532   0.324  -1.148  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.124   0.382  -0.845  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.475   0.282  -1.614  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.677   0.074   0.433  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.434  -0.151   1.371  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.990   0.345   1.625  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.189   0.074   0.744  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.749   1.099  -0.025  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -3.203   2.326  -0.001  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.867   0.870  -0.826  0.00  0.00    +0.086 A 
ATOM     24  N   LIG    1       -5.403   1.938  -1.599  0.00  0.00    -0.319 N 
ATOM     25  H   LIG    1       -4.960   2.848  -1.548  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -6.506   1.840  -2.433  0.00  0.00    +0.260 A 
ATOM     27  C   LIG    1       -7.100   0.525  -2.466  0.00  0.00    +0.085 A 
ATOM     28  C   LIG    1       -6.598  -0.563  -1.712  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1       -7.399  -1.641  -1.987  0.00  0.00    +0.204 A 
ATOM     30  O   LIG    1       -8.372  -1.274  -2.873  0.00  0.00    -0.470 OA
ATOM     31  C   LIG    1       -8.183   0.047  -3.160  0.00  0.00    +0.208 A 
ATOM     32  O   LIG    1       -6.923   2.795  -3.078  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1       -5.448  -0.417  -0.857  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1       -4.908  -1.448  -0.089  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -3.787  -1.199   0.709  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4