REMARK  Name = BDB042772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.278   2.433   2.118  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.419   1.862   1.456  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        2.769   0.771   0.537  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.750   0.141  -0.169  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        2.018  -0.912  -1.054  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        1.005  -1.513  -1.824  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1        1.260  -2.452  -2.130  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.311  -1.470  -1.179  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1       -0.714  -0.030  -0.832  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1        3.355  -1.264  -1.268  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.373  -0.630  -0.555  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        5.643  -1.000  -0.761  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.372   0.627   0.016  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        0.077   1.617   0.808  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        4.095   0.380   0.355  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        1.087   2.195   1.519  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        0.824   2.954   2.141  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -2.093   0.022  -0.195  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1       -2.357  -0.612   1.027  0.00  0.00    +0.129 A 
ATOM     20  F   LIG    1       -1.384  -1.296   1.646  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.613  -0.560   1.621  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -4.633   0.140   0.988  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1       -6.194   0.213   1.707  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -4.401   0.784  -0.227  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.135   0.727  -0.817  0.00  0.00    +0.008 A 
ENDBRANCH   9  18
TORSDOF 1