REMARK  Name = BDB063644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868   0.052  -0.791  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.277   0.020  -0.026  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.130   0.137   0.979  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.902   0.089  -2.016  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.588  -0.015  -0.408  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.652   0.241   0.617  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1       -2.384   0.367   1.803  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.878   0.201  -0.056  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1       -3.639  -0.145  -1.419  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1       -4.357   0.718  -2.372  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1       -2.243  -0.269  -1.554  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -1.680  -0.710  -2.867  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.109  -0.115   0.572  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -5.466   0.460   1.799  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1       -4.698   1.398   2.371  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1       -6.672   0.144   2.427  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -7.552  -0.756   1.831  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -7.225  -1.329   0.603  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -6.016  -1.007  -0.023  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  25
ATOM     20  C   LIG    1        3.934   0.021  -1.841  0.00  0.00    +0.050 C 
ATOM     21  C   LIG    1        3.458   0.087  -0.439  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        4.199   0.154   0.726  0.00  0.00    +0.171 A 
ATOM     23  O   LIG    1        3.350   0.159   1.791  0.00  0.00    -0.354 OA
ATOM     24  N   LIG    1        2.044   0.117   1.357  0.00  0.00    -0.073 NA
ATOM     25  C   LIG    1        2.100   0.084   0.014  0.00  0.00    +0.171 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.615   0.229   1.061  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.115  -0.429   2.196  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.473  -0.362   2.523  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        8.343   0.369   1.718  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       10.014   0.453   2.117  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        7.865   1.034   0.592  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        6.506   0.965   0.267  0.00  0.00    +0.013 A 
ENDBRANCH  22  26
ENDBRANCH   1  25
TORSDOF 4