REMARK  Name = BDB042501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.534  -2.160   1.130  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.996  -2.629   1.099  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1       -5.624  -0.488  -2.186  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -5.625   0.249  -0.874  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -4.768  -0.099   0.191  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -4.829   0.641   1.390  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -3.930   0.281   2.515  0.00  0.00    +0.257 A 
ATOM      8  N   LIG    1       -3.076  -0.776   2.301  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -2.481  -1.008   3.087  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.999  -1.503   1.137  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1       -3.945   0.891   3.577  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -5.718   1.707   1.542  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -6.553   2.036   0.488  0.00  0.00    +0.124 A 
ATOM     14  F   LIG    1       -7.411   3.056   0.619  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -3.804  -1.209   0.104  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -6.516   1.325  -0.707  0.00  0.00    +0.042 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.159  -1.307  -0.091  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.284  -1.025  -0.164  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.620  -0.414  -1.462  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.140  -0.260  -1.633  0.00  0.00    +0.052 C 
ATOM     21  C   LIG    1        3.811   0.303  -0.403  0.00  0.00    -0.024 C 
ATOM     22  C   LIG    1        3.131   0.373   0.758  0.00  0.00    -0.006 C 
ATOM     23  C   LIG    1        1.729  -0.144   0.929  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.194   0.796  -0.552  0.00  0.00    +0.067 A 
ATOM     25  N   LIG    1        5.497   1.369  -1.742  0.00  0.00    -0.254 NA
ATOM     26  C   LIG    1        6.759   1.832  -1.918  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1        7.754   1.748  -0.958  0.00  0.00    +0.070 A 
ATOM     28  C   LIG    1        7.434   1.149   0.258  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        6.141   0.665   0.463  0.00  0.00    +0.029 A 
BRANCH  27  30
ATOM     30  C   LIG    1        9.062   2.257  -1.218  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       10.125   2.671  -1.428  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6