REMARK  Name = BDB062436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.086  -0.719  -0.109  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1        1.376  -0.311   0.013  0.00  0.00    -0.228 NA
ATOM      3  C   LIG    1        2.368  -1.140  -0.394  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1        2.112  -2.411  -0.904  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        0.792  -2.832  -1.013  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.232  -1.979  -0.613  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.163   1.252   0.164  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -2.204   0.329  -0.279  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -0.939   0.250   0.333  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.675   1.151   1.384  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.622   2.091   1.807  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.868   2.147   1.192  0.00  0.00    +0.013 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -5.133  -0.974   0.262  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1       -5.256   0.181  -0.617  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1       -4.481   1.337  -0.504  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -4.824   2.429  -0.950  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -6.487   0.268  -1.381  0.00  0.00    +0.132 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1        3.727  -0.704  -0.261  0.00  0.00    -0.209 N 
ATOM     19  C   LIG    1        4.218   0.525   0.136  0.00  0.00    +0.163 A 
ATOM     20  C   LIG    1        5.584   0.366   0.336  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1        5.844  -0.947  -0.087  0.00  0.00    +0.150 A 
ATOM     22  N   LIG    1        4.752  -1.575  -0.512  0.00  0.00    -0.172 NA
BRANCH  19  23
ATOM     23  C   LIG    1        3.365   1.720   0.271  0.00  0.00    +0.435 C 
ATOM     24  F   LIG    1        4.112   2.857   0.272  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1        2.649   1.728   1.419  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        2.515   1.874  -0.774  0.00  0.00    -0.164 F 
ENDBRANCH  19  23
BRANCH  20  27
ATOM     27  C   LIG    1        6.501   1.344   0.885  0.00  0.00    +0.340 C 
ATOM     28  O   LIG    1        6.189   2.138   1.757  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.754   1.295   0.370  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        7.845   0.712  -0.405  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH   3  18
TORSDOF 6