REMARK  Name = BDB014951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.738   3.575   2.716  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.293   3.188   2.894  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.651   2.593   1.815  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.213   2.316   1.998  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.720   1.372   0.961  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.466   0.727   0.808  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.463  -0.029  -0.296  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.690   0.102  -0.829  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.471   0.959  -0.118  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.866   1.380  -0.386  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.161   2.659   0.426  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.726   3.393   3.968  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.032  -0.606  -2.037  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -1.456   0.023  -3.291  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -1.486  -0.999  -4.303  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -1.629  -2.271  -3.649  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -1.521  -2.030  -2.158  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.548   0.900   1.688  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.388   1.492   2.499  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.855   0.357   1.739  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.684   0.712   2.815  0.00  0.00    +0.144 A 
ATOM     22  F   LIG    1        2.213   1.549   3.754  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.979   0.222   2.944  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        4.482  -0.650   1.980  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        3.692  -1.028   0.885  0.00  0.00    -0.013 A 
ATOM     26  C   LIG    1        2.385  -0.515   0.779  0.00  0.00    +0.034 A 
BRANCH  25  27
ATOM     27  C   LIG    1        4.193  -1.945  -0.127  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.522  -2.143  -0.446  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        5.545  -3.068  -1.449  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        6.708  -3.594  -2.120  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        4.323  -3.496  -1.813  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        3.503  -2.807  -1.014  0.00  0.00    +0.142 A 
ENDBRANCH  25  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4