REMARK  Name = BDB006623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.038   2.489   0.992  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.620   1.137   0.557  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.344   0.568   0.557  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.069   0.813   0.903  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.693  -0.505   0.532  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.282  -1.406   0.000  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.147  -2.547  -0.407  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.502  -0.686   0.055  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -2.806  -0.852  -0.239  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.525   0.265   0.068  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        2.043  -0.802   0.735  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.619  -1.952   0.333  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.964  -2.237   0.530  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1        4.474  -3.512   0.045  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.838  -1.349   1.160  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1        6.032  -1.575   1.339  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        4.209  -0.073   1.620  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1        5.197   1.083   2.429  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        2.904   0.158   1.413  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1        0.504   1.998   0.062  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.606   3.266   0.663  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        1.001   4.381  -0.081  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        1.295   4.243  -1.435  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        1.779   5.616  -2.350  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        1.196   2.999  -2.052  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.802   1.883  -1.309  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.458  -2.025  -0.806  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -4.491  -2.608   0.158  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -4.079  -1.713  -2.167  0.00  0.00    +0.032 C 
ENDBRANCH   9  27
TORSDOF 3