REMARK  Name = BDB046640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.178   0.733  -0.474  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -0.447  -0.744  -0.111  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.577  -1.630  -0.687  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.381  -2.616  -0.522  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.900  -1.272  -0.415  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.275   0.053  -0.173  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.604   0.398   0.042  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.602  -0.577  -0.016  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.254  -1.894  -0.307  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.932   1.802   0.325  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        5.085   2.157   0.539  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        2.870   2.675   0.345  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.079   3.657   0.503  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        1.569   2.365   0.091  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        2.913  -2.234  -0.518  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        1.262   1.122  -0.149  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -1.806  -1.248  -0.582  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -2.808  -1.560   0.355  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -4.058  -2.015  -0.070  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.311  -2.160  -1.428  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -5.511  -2.599  -1.832  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.339  -1.858  -2.373  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.089  -1.403  -1.952  0.00  0.00    +0.008 A 
ENDBRANCH   2  17
BRANCH   1  26
ATOM     24  C   LIG    1       -0.299   1.776   2.579  0.00  0.00    +0.174 C 
ATOM     25  N   LIG    1       -1.206   2.052   1.495  0.00  0.00    -0.251 N 
ATOM     26  C   LIG    1       -1.175   1.654   0.179  0.00  0.00    +0.138 A 
ATOM     27  N   LIG    1       -2.220   2.179  -0.436  0.00  0.00    -0.219 NA
ATOM     28  C   LIG    1       -2.861   2.875   0.543  0.00  0.00    +0.245 A 
ATOM     29  N   LIG    1       -2.292   2.809   1.745  0.00  0.00    -0.158 NA
ENDBRANCH   1  26
TORSDOF 2