REMARK  Name = BDB042738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.261   0.242  -0.437  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -0.987  -0.166   0.390  0.00  0.00    +0.120 C 
ATOM      3  N   LIG    1       -2.121   0.732   0.115  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -2.974   0.455   0.601  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -1.837   2.096   0.282  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.544   2.612   0.126  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -0.289   3.974   0.250  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -1.333   4.866   0.495  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.623   4.368   0.597  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -3.641   5.213   0.809  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        1.094   4.447   0.112  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1        1.373   5.634   0.231  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        2.038   3.482  -0.148  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1        2.999   3.791  -0.263  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1        1.802   2.152  -0.327  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -2.884   3.003   0.480  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        0.582   1.718  -0.191  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1       -1.441  -1.591   0.143  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1       -1.778  -2.063  -1.130  0.00  0.00    +0.134 A 
ATOM     20  F   LIG    1       -1.706  -1.249  -2.192  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -2.184  -3.377  -1.338  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1       -2.256  -4.241  -0.254  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1       -2.646  -5.507  -0.445  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -1.931  -3.811   1.024  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -1.527  -2.493   1.209  0.00  0.00    +0.134 A 
ATOM     26  F   LIG    1       -1.214  -2.091   2.449  0.00  0.00    -0.205 F 
ENDBRANCH   2  18
BRANCH   1  31
ATOM     27  C   LIG    1        3.635  -2.403   0.288  0.00  0.00    +0.087 A 
ATOM     28  C   LIG    1        3.120  -1.623   1.319  0.00  0.00    +0.141 A 
ATOM     29  F   LIG    1        3.652  -1.684   2.549  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        2.041  -0.767   1.103  0.00  0.00    +0.044 A 
ATOM     31  C   LIG    1        1.453  -0.677  -0.169  0.00  0.00    -0.034 A 
ATOM     32  C   LIG    1        1.976  -1.463  -1.209  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1        3.058  -2.320  -0.983  0.00  0.00    +0.022 A 
BRANCH  27  35
ATOM     34  N   LIG    1        5.630  -4.005   0.687  0.00  0.00    -0.191 NA
ATOM     35  C   LIG    1        4.739  -3.279   0.526  0.00  0.00    +0.102 C 
ENDBRANCH  27  35
ENDBRANCH   1  31
TORSDOF 3