REMARK  Name = BDB064257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.340   0.367   0.301  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -1.918   1.663   0.627  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -0.557   1.977   0.746  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.419   0.998   0.539  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.020  -0.292   0.182  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.343  -0.596   0.071  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -6.029   0.501  -0.537  0.00  0.00    +0.092 C 
ATOM      8  C   LIG    1       -4.660   1.067  -0.131  0.00  0.00    +0.117 C 
ATOM      9  N   LIG    1       -3.689  -0.002   0.168  0.00  0.00    -0.329 N 
ATOM     10  C   LIG    1       -4.127  -0.983   1.171  0.00  0.00    +0.105 C 
ATOM     11  C   LIG    1       -5.435  -1.622   0.717  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1       -6.504  -0.564   0.463  0.00  0.00    +0.016 C 
BRANCH   7  16
ATOM     13  N   LIG    1       -7.217  -0.529  -2.414  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -8.087  -0.386  -1.922  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -7.267  -0.743  -3.403  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -6.041   0.024  -1.987  0.00  0.00    +0.215 C 
ATOM     17  O   LIG    1       -5.125   0.166  -2.788  0.00  0.00    -0.276 OA
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   4  18
ATOM     18  C   LIG    1        1.851   1.386   0.679  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1        2.733   0.378   0.997  0.00  0.00    -0.304 N 
ATOM     20  H   LIG    1        2.402  -0.557   1.174  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        2.185   2.558   0.547  0.00  0.00    -0.270 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.161   0.609   1.093  0.00  0.00    +0.107 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.861   0.420  -0.246  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        5.942   1.256  -0.580  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        6.617   1.106  -1.794  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.218   0.116  -2.688  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        7.051  -0.073  -4.182  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.150  -0.722  -2.380  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.475  -0.571  -1.165  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     30  C   LIG    1        4.697  -0.256   2.213  0.00  0.00    +0.014 C 
ATOM     31  C   LIG    1        6.045  -0.945   2.203  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1        4.785  -1.764   2.125  0.00  0.00    +0.006 C 
ENDBRANCH  22  30
ENDBRANCH  19  22
ENDBRANCH   4  18
TORSDOF 6