REMARK  Name = BDB054536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.567  -0.724  -0.108  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.471   0.555  -0.101  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.489   1.188   1.305  0.00  0.00    +0.055 C 
ATOM      4  C   LIG    1       -2.828   0.171   2.386  0.00  0.00    +0.084 C 
ATOM      5  N   LIG    1       -1.860  -0.921   2.414  0.00  0.00    -0.315 NA
ATOM      6  H   LIG    1       -0.940  -0.550   2.662  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -1.779  -1.619   1.132  0.00  0.00    +0.095 C 
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -3.916   0.374  -0.613  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -4.519  -0.873  -0.848  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.835  -0.957  -1.309  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -6.374  -2.166  -1.520  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -6.577   0.189  -1.551  0.00  0.00    +0.158 A 
ATOM     13  F   LIG    1       -7.838   0.099  -1.995  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -6.015   1.437  -1.338  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -4.698   1.526  -0.876  0.00  0.00    +0.009 A 
ENDBRANCH   2   8
BRANCH   1  19
ATOM     16  C   LIG    1        2.044   0.050  -0.649  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1        1.003  -0.013   0.313  0.00  0.00    +0.088 A 
ATOM     18 BR   LIG    1        1.226   0.393   2.128  0.00  0.00    -0.044 Br
ATOM     19  C   LIG    1       -0.113  -0.429  -0.372  0.00  0.00    +0.159 A 
ATOM     20  O   LIG    1        0.250  -0.612  -1.679  0.00  0.00    -0.357 OA
ATOM     21  N   LIG    1        1.583  -0.321  -1.852  0.00  0.00    -0.077 NA
BRANCH  16  26
ATOM     22  C   LIG    1        7.000  -0.972  -0.401  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        5.823  -0.034  -0.353  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1        4.492  -0.496  -0.489  0.00  0.00    -0.038 A 
ATOM     25  C   LIG    1        4.208  -1.962  -0.715  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1        3.436   0.447  -0.470  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.710   1.810  -0.281  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        5.018   2.251  -0.115  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.066   1.335  -0.152  0.00  0.00    +0.003 A 
ENDBRANCH  16  26
ENDBRANCH   1  19
BRANCH   2  30
ATOM     30  O   LIG    1       -1.903   1.544  -0.987  0.00  0.00    -0.383 OA
ATOM     31  H   LIG    1       -1.877   1.159  -1.883  0.00  0.00    +0.211 HD
ENDBRANCH   2  30
TORSDOF 4