REMARK  Name = BDB042686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.109   0.890   0.422  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1        2.012   1.772  -0.198  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        1.056   0.978  -1.079  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        0.427  -0.126  -0.351  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -0.795  -0.703  -0.689  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.274  -1.631  -0.038  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.166  -0.683   0.782  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        2.670  -0.572   0.578  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        4.314   0.974  -0.416  0.00  0.00    -0.340 N 
ATOM     10  H   LIG    1        4.149   0.702  -1.384  0.00  0.00    +0.146 HD
BRANCH   9  14
ATOM     11  C   LIG    1        8.173  -0.067   0.758  0.00  0.00    +0.140 A 
ATOM     12  N   LIG    1        7.897   0.074  -0.557  0.00  0.00    -0.243 NA
ATOM     13  C   LIG    1        6.620   0.404  -0.873  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1        5.569   0.574   0.038  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.919   0.452   1.383  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        7.225   0.116   1.754  0.00  0.00    +0.041 A 
BRANCH  11  18
ATOM     17  N   LIG    1       10.611  -0.698   1.403  0.00  0.00    -0.189 NA
ATOM     18  C   LIG    1        9.527  -0.415   1.089  0.00  0.00    +0.119 C 
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -1.496  -0.147  -1.922  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.815  -0.859  -2.236  0.00  0.00    +0.062 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.960  -0.382  -1.373  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1       -4.522   0.832  -1.693  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -4.174   1.366  -2.480  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.575   1.423  -1.023  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -6.004   2.513  -1.380  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -6.128   0.667   0.126  0.00  0.00    +0.082 A 
ATOM     27  C   LIG    1       -5.561  -0.576   0.447  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -6.067  -1.307   1.529  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -7.130  -0.804   2.283  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -7.690   0.431   1.958  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -7.188   1.162   0.882  0.00  0.00    +0.136 A 
ATOM     32  F   LIG    1       -7.756   2.345   0.608  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -4.446  -1.097  -0.347  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 6