REMARK  Name = BDB006593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.538  -0.386  -0.507  0.00  0.00    -0.254 N 
ATOM      2  C   LIG    1       -0.817   0.208  -0.714  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.653  -1.000  -0.892  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.875  -2.144  -0.769  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1       -1.567  -3.269  -0.921  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1       -2.828  -2.814  -1.139  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -3.894  -3.770  -1.339  0.00  0.00    +0.172 C 
ATOM      8  C   LIG    1       -2.928  -1.432  -1.160  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -4.191  -0.700  -1.409  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        0.511  -1.811  -0.519  0.00  0.00    +0.272 C 
ATOM     11  O   LIG    1        1.422  -2.611  -0.372  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1        6.227  -0.778   0.498  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1        5.495   0.488   0.268  0.00  0.00    +0.088 A 
ATOM     14  C   LIG    1        4.110   0.662   0.015  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.969   2.027  -0.122  0.00  0.00    +0.168 A 
ATOM     16  C   LIG    1        2.762   2.659  -0.382  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        1.639   1.823  -0.506  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        1.711   0.421  -0.375  0.00  0.00    +0.038 A 
ATOM     19  O   LIG    1        5.178   2.626   0.036  0.00  0.00    -0.354 OA
ATOM     20  C   LIG    1        2.970  -0.156  -0.112  0.00  0.00    +0.037 A 
ATOM     21  N   LIG    1        6.144   1.662   0.281  0.00  0.00    -0.082 NA
ENDBRANCH   1  18
BRANCH   2  22
ATOM     22  C   LIG    1       -1.397   0.933   0.487  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -1.151   0.520   1.810  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.706   1.212   2.891  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.515   2.321   2.662  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -3.200   3.170   3.992  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -2.775   2.746   1.362  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -2.221   2.056   0.281  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
TORSDOF 2