REMARK  Name = BDB042628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.044   1.152   1.415  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.281   0.770   0.914  0.00  0.00    -0.293 NA
ATOM      3  C   LIG    1       -1.539  -0.693   0.904  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -2.800  -0.959   0.024  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1       -4.001  -0.264   0.554  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -3.734   1.128   1.015  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1       -1.817  -1.047   2.371  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -2.368   0.246   2.972  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -2.385   1.230   1.795  0.00  0.00    +0.074 C 
BRANCH   5  10
ATOM     10  C   LIG    1       -5.236  -0.482  -0.071  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -5.375  -1.228  -1.253  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -6.625  -1.448  -1.851  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -7.782  -0.935  -1.268  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -7.679  -0.209  -0.084  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.425   0.005   0.503  0.00  0.00    +0.024 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -9.061  -1.160  -1.873  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1      -10.097  -1.342  -2.363  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   5  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.136   0.875   0.374  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.495   1.395   0.856  0.00  0.00    +0.054 C 
BRANCH  19  27
ATOM     20  C   LIG    1        6.725  -1.831   0.567  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        6.647  -0.994  -0.682  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        5.624  -0.041  -0.891  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        5.612   0.710  -2.085  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        4.537   1.709  -2.300  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1        3.604   1.830  -1.293  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        2.881   2.519  -1.468  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        3.599   1.103  -0.129  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        4.456   2.404  -3.306  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        6.599   0.514  -3.048  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        6.617   1.210  -4.193  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.606  -0.422  -2.845  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        4.562   0.197   0.101  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        7.632  -1.172  -1.670  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6