REMARK  Name = BDB063403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.276  -1.942  -0.406  0.00  0.00    +0.123 A 
ATOM      2  N   LIG    1        0.898  -1.293  -0.449  0.00  0.00    -0.210 NA
ATOM      3  C   LIG    1        1.148  -0.579  -1.568  0.00  0.00    +0.197 A 
ATOM      4  N   LIG    1        0.333  -0.461  -2.625  0.00  0.00    -0.233 NA
ATOM      5  C   LIG    1       -0.816  -1.147  -2.549  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1       -1.166  -1.913  -1.460  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.424   0.135  -1.601  0.00  0.00    +0.177 A 
ATOM      8  N   LIG    1        3.361  -0.037  -0.607  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        3.232  -0.653   0.183  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        4.454   0.743  -0.879  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        4.128   1.384  -2.071  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        5.054   2.276  -2.638  0.00  0.00    +0.169 A 
ATOM     13  C   LIG    1        6.272   2.488  -1.984  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1        6.571   1.827  -0.788  0.00  0.00    +0.025 A 
ATOM     15 CL   LIG    1        7.436   3.575  -2.647  0.00  0.00    -0.081 Cl
ATOM     16  F   LIG    1        4.774   2.914  -3.785  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1        5.662   0.935  -0.206  0.00  0.00    +0.029 A 
ATOM     18  N   LIG    1        2.876   0.998  -2.497  0.00  0.00    -0.222 NA
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -0.498  -2.674   0.753  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        0.284  -2.490   1.375  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.796  -2.569   1.409  0.00  0.00    +0.141 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -2.738  -0.236   1.838  0.00  0.00    +0.144 A 
ATOM     23  C   LIG    1       -1.929  -1.308   2.223  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -1.224  -1.177   3.429  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -1.375  -0.031   4.203  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -2.236   0.950   3.750  0.00  0.00    +0.113 A 
ATOM     27  N   LIG    1       -2.927   0.861   2.594  0.00  0.00    -0.239 NA
BRANCH  22  29
ATOM     28  C   LIG    1       -4.904  -0.900   0.953  0.00  0.00    +0.159 C 
ATOM     29  N   LIG    1       -3.560  -0.332   0.677  0.00  0.00    -0.193 N 
BRANCH  29  30
ATOM     30  S   LIG    1       -3.652   1.045  -0.317  0.00  0.00    +0.044 S 
ATOM     31  O   LIG    1       -3.897   0.536  -1.656  0.00  0.00    -0.155 OA
ATOM     32  O   LIG    1       -4.578   1.996   0.264  0.00  0.00    -0.155 OA
ATOM     33  C   LIG    1       -2.015   1.761  -0.300  0.00  0.00    +0.218 C 
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6