REMARK  Name = BDB042585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.603   1.615  -1.517  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.112   0.181  -1.346  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.147   0.015  -0.771  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.584  -1.345  -0.458  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.079  -1.530  -0.715  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        3.886  -0.405  -0.120  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1        3.300   0.775   0.156  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        1.857   1.098  -0.094  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1       -0.781  -0.774  -1.740  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.325  -0.633   0.127  0.00  0.00    -0.022 A 
ATOM     11  C   LIG    1        5.921  -0.232   1.335  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        7.279  -0.463   1.572  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        8.045  -1.098   0.603  0.00  0.00    +0.123 A 
ATOM     14  F   LIG    1        9.346  -1.319   0.830  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        7.478  -1.509  -0.596  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        6.120  -1.280  -0.832  0.00  0.00    +0.011 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -2.054   1.697  -1.999  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -5.150  -2.341  -0.395  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.348  -1.160   0.516  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -4.659   0.058   0.333  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -4.892   1.119   1.232  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -4.166   2.401   1.048  0.00  0.00    +0.257 A 
ATOM     23  N   LIG    1       -3.290   2.463  -0.011  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.820   3.353  -0.122  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -3.049   1.435  -0.892  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -4.332   3.355   1.799  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -5.792   0.990   2.292  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -6.461  -0.210   2.457  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -7.326  -0.350   3.470  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -3.699   0.268  -0.760  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -6.251  -1.277   1.588  0.00  0.00    +0.042 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4