REMARK  Name = BDB004684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.147   1.884   0.197  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.271   1.373   0.082  0.00  0.00    -0.030 A 
ATOM      3  C   LIG    1       -0.787   0.985  -1.161  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.093   0.499  -1.268  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -2.910   0.387  -0.136  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.393   0.762   1.105  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -1.085   1.249   1.214  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  N   LIG    1       -4.214  -0.116  -0.330  0.00  0.00    -0.282 N 
ATOM      9  H   LIG    1       -4.457  -0.334  -1.286  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -5.210  -0.249   0.620  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1       -5.164   0.099   1.793  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -6.478  -0.852   0.117  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -6.477  -1.887  -0.831  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -7.689  -2.426  -1.271  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -8.887  -1.937  -0.759  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1      -10.045  -2.458  -1.185  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -8.900  -0.923   0.193  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -7.693  -0.383   0.637  0.00  0.00    +0.016 A 
ENDBRANCH  10  12
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        2.060   0.758   0.043  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.831   0.019   0.703  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1        6.719  -0.578   0.076  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        5.741   0.434   0.178  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        4.393   0.052   0.040  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        3.429   1.077   0.161  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1        3.770   2.359   0.356  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1        5.070   2.622   0.466  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1        4.057  -1.301  -0.217  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.035  -2.281  -0.317  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1        6.064   1.729   0.398  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1        6.363  -1.920  -0.166  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1        8.606   0.962   0.419  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1        9.593   1.147   0.516  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        7.937   1.724   0.492  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1        8.188  -0.318   0.210  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        9.011  -1.224   0.134  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6