REMARK  Name = BDB040752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.549  -0.501  -0.681  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -3.001  -0.504   0.643  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -4.355  -0.335   0.931  0.00  0.00    +0.132 A 
ATOM      4  F   LIG    1       -4.742  -0.341   2.215  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1       -5.303  -0.150  -0.075  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -4.841  -0.133  -1.390  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1       -5.705   0.062  -2.397  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -3.490  -0.301  -1.696  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -6.773   0.027   0.233  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1       -7.346  -1.147   1.024  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -6.979  -2.311   0.871  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -8.379  -0.858   1.884  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -8.768  -1.647   2.383  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -9.040   0.334   2.041  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1      -10.042   0.416   2.744  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -8.517   1.502   1.242  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -7.031   1.351   0.961  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  20
ATOM     18  C   LIG    1        0.705  -1.345  -1.431  0.00  0.00    +0.111 C 
ATOM     19  C   LIG    1       -0.190  -1.326  -0.176  0.00  0.00    +0.129 C 
ATOM     20  N   LIG    1       -1.181  -0.659  -0.981  0.00  0.00    -0.326 N 
ATOM     21  C   LIG    1       -0.613  -1.152  -2.206  0.00  0.00    +0.129 C 
BRANCH  18  23
ATOM     22  C   LIG    1        2.859  -0.216  -0.895  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.653  -0.214  -1.529  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.358   0.692  -1.870  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        3.327  -1.164  -0.284  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.440   0.999  -1.045  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.723   1.159  -0.415  0.00  0.00    +0.234 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.824   0.662  -1.346  0.00  0.00    +0.042 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.240   0.953  -0.846  0.00  0.00    +0.010 C 
BRANCH  29  31
ATOM     30  C   LIG    1        7.509   1.260   1.674  0.00  0.00    +0.011 C 
ATOM     31  C   LIG    1        7.588   0.323   0.493  0.00  0.00    -0.032 C 
ATOM     32  C   LIG    1        7.303  -1.149   0.727  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        8.714  -0.694   0.514  0.00  0.00    +0.007 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  18  23
ENDBRANCH   1  20
TORSDOF 8