REMARK  Name = BDB056398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.473  -2.888  -0.051  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.884  -1.534  -0.322  0.00  0.00    -0.048 A 
ATOM      3  C   LIG    1       -1.545  -1.268   0.003  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.968  -0.001  -0.216  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -1.795   1.021  -0.728  0.00  0.00    -0.000 A 
ATOM      6  C   LIG    1       -1.268   2.370  -0.920  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.006   2.664  -0.586  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        0.886   1.606  -0.031  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        2.105   1.933   0.309  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1        2.582   3.206   0.188  0.00  0.00    +0.350 A 
ATOM     11  O   LIG    1        3.657   3.550   0.668  0.00  0.00    -0.245 OA
ATOM     12  N   LIG    1        1.840   4.140  -0.475  0.00  0.00    -0.273 N 
ATOM     13  H   LIG    1        2.236   5.066  -0.503  0.00  0.00    +0.174 HD
ATOM     14  C   LIG    1        0.522   4.020  -0.778  0.00  0.00    +0.263 A 
ATOM     15  O   LIG    1       -0.158   4.966  -1.156  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.136   0.761  -1.041  0.00  0.00    +0.010 A 
ATOM     17  N   LIG    1        0.408   0.280   0.104  0.00  0.00    -0.293 N 
ATOM     18  C   LIG    1       -3.676  -0.509  -0.839  0.00  0.00    +0.004 A 
ENDROOT
BRANCH  17  19
ATOM     19  C   LIG    1        1.341  -0.746   0.463  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        1.984  -0.730   1.712  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        2.891  -1.734   2.062  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        3.164  -2.763   1.163  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        4.277  -4.002   1.594  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        2.542  -2.795  -0.083  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        1.636  -1.790  -0.432  0.00  0.00    +0.027 A 
ENDBRANCH  17  19
TORSDOF 1