REMARK  Name = BDB006600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.637  -0.902  -0.246  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.170   0.300  -0.627  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.553  -0.198  -0.487  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.552  -1.514  -0.049  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1       -2.773  -2.022   0.097  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1       -3.572  -0.981  -0.260  0.00  0.00    -0.268 N 
ATOM      7  C   LIG    1       -2.868   0.145  -0.637  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1       -0.201  -2.002   0.127  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        0.111  -3.121   0.501  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        4.893   1.417  -1.391  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        4.113   0.246  -0.882  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        4.903  -0.941  -0.435  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        6.130  -0.921  -0.495  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        4.155  -2.017   0.027  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        4.842  -3.218   0.482  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        2.769  -1.997   0.085  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        2.034  -0.937  -0.305  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        2.771   0.215  -0.811  0.00  0.00    +0.033 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1       -0.073   1.484   0.320  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        0.160   1.332   1.699  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.239   2.447   2.538  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.082   3.725   2.010  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        0.177   5.097   3.043  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.156   3.899   0.649  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.235   2.786  -0.191  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   6  26
ATOM     26  C   LIG    1       -5.022  -1.143  -0.215  0.00  0.00    +0.101 C 
ATOM     27  C   LIG    1       -5.645  -0.995  -1.603  0.00  0.00    +0.032 C 
ATOM     28  C   LIG    1       -5.660  -0.185   0.789  0.00  0.00    +0.032 C 
ENDBRANCH   6  26
TORSDOF 3