REMARK  Name = BDB052837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.159  -0.950   0.819  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.228  -2.296   1.078  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        0.988  -2.738  -0.008  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        1.405  -4.084  -0.091  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        1.114  -4.951   0.967  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.407  -4.507   2.076  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        1.137  -1.659  -0.886  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1       -0.049  -3.189   2.137  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.448  -0.560  -0.368  0.00  0.00    +0.219 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -0.656   0.096   2.845  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.991  -0.123   1.682  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1       -2.166   0.389   1.141  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -2.955   1.321   1.942  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -3.846   2.213   1.062  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1       -4.768   1.481   0.175  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1       -4.876   2.010  -0.690  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -4.298   0.119  -0.124  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1       -2.769  -0.057  -0.119  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1        1.901  -1.660  -2.096  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        3.122  -2.344  -2.161  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.871  -2.336  -3.340  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.409  -1.645  -4.458  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.200  -0.955  -4.398  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        1.449  -0.956  -3.221  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  O   LIG    1        0.491   0.620  -1.003  0.00  0.00    -0.439 OA
BRANCH  25  26
ATOM     26  C   LIG    1        0.583   1.808  -0.318  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        1.410   1.980   0.795  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        1.466   3.220   1.448  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1        0.703   4.288   0.947  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -0.095   4.122  -0.185  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -0.148   2.883  -0.822  0.00  0.00    +0.046 A 
BRANCH  28  32
ATOM     32  C   LIG    1        2.338   3.423   2.662  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1        3.319   4.344   2.440  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        1.640   3.881   3.738  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        2.978   2.296   3.079  0.00  0.00    -0.166 F 
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 5