REMARK  Name = LIG000448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.361  -0.594   0.687  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -2.055  -0.274   0.348  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.787  -0.882   0.759  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        0.208  -0.212   0.098  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -0.296   0.802  -0.668  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        0.294   1.626  -1.338  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.688  -1.829   1.518  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.749   0.749  -0.534  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1       -2.720   1.537  -1.118  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -4.040   1.262  -0.767  0.00  0.00    +0.043 A 
ATOM     11 CL   LIG    1       -5.307   2.218  -1.433  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -4.358   0.224   0.135  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1        1.621  -0.442   0.357  0.00  0.00    +0.171 C 
ATOM     14  C   LIG    1        2.140   0.636   1.315  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        1.419   1.280   2.075  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        3.506   0.809   1.333  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.853   1.511   1.973  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        4.436   0.255   0.489  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        5.625   0.551   0.575  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.930  -0.774  -0.496  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        2.489  -0.493  -0.896  0.00  0.00    +0.041 C 
ENDBRANCH   4  13
BRANCH   1  22
ATOM     22  N   LIG    1       -3.676  -1.515   1.684  0.00  0.00    -0.357 N 
ATOM     23  H   LIG    1       -4.593  -1.946   1.627  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1       -2.929  -2.182   1.895  0.00  0.00    +0.142 HD
ENDBRANCH   1  22
TORSDOF 2