REMARK  Name = BDB042646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.520   0.430  -2.010  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -1.349   1.435  -1.560  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.443   1.943  -0.197  0.00  0.00    +0.094 C 
ATOM      4  C   LIG    1       -2.309   0.963   0.653  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1       -3.647   0.732   0.031  0.00  0.00    -0.326 N 
ATOM      6  C   LIG    1       -3.639   0.586  -1.456  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1       -2.185   3.271  -0.408  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1       -3.021   3.048  -1.682  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1       -2.681   1.617  -2.119  0.00  0.00    +0.094 C 
ATOM     10  O   LIG    1       -0.793  -0.239  -3.005  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.540  -0.055   0.773  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.753   0.202   2.140  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -5.648  -0.555   2.908  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -6.362  -1.587   2.316  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -7.461  -2.521   3.252  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -6.194  -1.859   0.965  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -5.298  -1.094   0.205  0.00  0.00    +0.024 A 
ENDBRANCH   5  11
BRANCH   1  18
ATOM     18  C   LIG    1        0.761   0.225  -1.221  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.661  -0.825  -1.879  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1        4.492   0.775   2.433  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.242  -0.292   1.683  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        4.735  -0.894   0.510  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        5.500  -1.887  -0.135  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        4.975  -2.522  -1.366  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1        3.746  -2.086  -1.802  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        3.410  -2.537  -2.647  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        2.979  -1.119  -1.191  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        5.601  -3.389  -1.964  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        6.744  -2.285   0.362  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        7.227  -1.686   1.512  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        8.417  -2.056   2.001  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        3.432  -0.526  -0.072  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        6.495  -0.703   2.171  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4