REMARK  Name = BDB059165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.937   1.537   1.069  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -3.473   0.313   1.006  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -2.713  -0.684   0.491  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.430  -0.464   0.020  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.959   0.831   0.155  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -1.699   1.839   0.667  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.396  -1.991   0.469  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.848  -3.123   1.097  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -3.518  -4.348   1.065  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1       -2.826  -5.720   1.840  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -4.745  -4.469   0.417  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.312  -3.355  -0.197  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.644  -2.127  -0.166  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -0.664  -1.490  -0.610  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -0.048  -2.313  -1.148  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1       -3.946   2.813   1.767  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.450   4.205   0.714  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.274   3.938  -1.813  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -3.904   4.057  -0.676  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1        0.678   1.333  -0.365  0.00  0.00    -0.027 S 
BRANCH  20  21
ATOM     21  C   LIG    1        1.555   0.793   1.024  0.00  0.00    +0.215 A 
ATOM     22  N   LIG    1        2.870   1.074   1.262  0.00  0.00    -0.219 N 
ATOM     23  N   LIG    1        3.216   0.568   2.463  0.00  0.00    -0.043 NA
ATOM     24  N   LIG    1        2.135  -0.060   2.905  0.00  0.00    -0.022 NA
ATOM     25  N   LIG    1        1.092   0.074   2.022  0.00  0.00    -0.101 NA
BRANCH  22  26
ATOM     26  C   LIG    1        3.813   1.875   0.519  0.00  0.00    +0.163 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.294   1.241  -0.796  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.797  -0.137  -0.682  0.00  0.00    -0.307 NA
ATOM     29  C   LIG    1        6.046  -0.213   0.080  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1        4.987  -0.730  -2.008  0.00  0.00    +0.104 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 10