REMARK  Name = BDB039614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.732  -1.356   1.746  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -2.402  -2.574   0.964  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.971  -3.076   1.269  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.110  -2.092   1.025  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.379  -0.701   1.233  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.553  -0.604   2.232  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.070   0.650   0.240  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -4.886   1.311   0.193  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -3.816   0.645   0.685  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -2.646   1.299   0.581  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -3.835  -0.654   1.230  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -5.091  -1.279   1.245  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -6.222  -0.630   0.751  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -7.998   3.536  -1.258  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -6.974   2.633  -0.809  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -6.019   2.960  -0.684  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.261   1.384  -0.299  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.382   0.892  -0.268  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        0.691  -2.253  -0.320  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.954  -1.447  -0.524  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.086  -0.611  -1.641  0.00  0.00    +0.129 A 
ATOM     22  F   LIG    1        1.080  -0.514  -2.522  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        3.241   0.131  -1.865  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.293   0.032  -0.958  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        4.190  -0.810   0.170  0.00  0.00    +0.052 A 
ATOM     26  N   LIG    1        5.256  -0.917   1.097  0.00  0.00    -0.321 N 
ATOM     27  H   LIG    1        5.166  -1.522   1.902  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1        6.460  -0.237   0.999  0.00  0.00    +0.260 A 
ATOM     29  C   LIG    1        6.567   0.624  -0.155  0.00  0.00    +0.085 A 
ATOM     30  C   LIG    1        7.577   1.445  -0.596  0.00  0.00    +0.122 A 
ATOM     31  N   LIG    1        7.109   2.011  -1.747  0.00  0.00    -0.273 N 
ATOM     32  N   LIG    1        5.862   1.612  -2.084  0.00  0.00    -0.171 NA
ATOM     33  C   LIG    1        7.802   2.954  -2.592  0.00  0.00    +0.172 C 
ATOM     34  O   LIG    1        7.347  -0.370   1.836  0.00  0.00    -0.267 OA
ATOM     35  C   LIG    1        5.534   0.763  -1.104  0.00  0.00    +0.107 A 
ATOM     36  C   LIG    1        3.026  -1.549   0.381  0.00  0.00    +0.034 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4