REMARK  Name = BDB036251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.514  -0.291  -0.529  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.105  -0.316   0.833  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.233  -0.550   1.077  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.385  -0.610   2.441  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1        0.865  -0.357   2.968  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -1.175  -0.716   0.043  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.784  -0.702  -1.205  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.780  -0.166   1.955  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        0.556  -0.497  -1.457  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.478   0.303  -1.853  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        5.183  -0.872  -1.261  0.00  0.00    -0.218 NA
ATOM     12  C   LIG    1        3.907  -1.059  -0.827  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        3.639  -2.381  -0.165  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        2.904  -0.090  -0.982  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.254   1.116  -1.604  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        4.558   1.317  -2.045  0.00  0.00    +0.068 A 
BRANCH  10  18
ATOM     17  C   LIG    1        7.651  -0.534  -2.058  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        6.758   0.546  -2.310  0.00  0.00    -0.480 OA
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1       -2.512  -0.902   0.312  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.993  -1.130  -0.556  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.267   0.071   1.091  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.551   0.434   0.400  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.583   1.175  -0.779  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.474   1.692  -1.620  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -4.268   2.637  -2.522  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -5.648   2.207  -2.554  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.788   1.483  -1.398  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.004   1.074  -0.891  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.998   0.339   0.294  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.785   0.029   0.925  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -5.823  -0.678   2.063  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
BRANCH   5  32
ATOM     32  C   LIG    1        1.296  -0.323   4.394  0.00  0.00    +0.135 C 
BRANCH  32  33
ATOM     33  N   LIG    1        1.891  -1.615   4.725  0.00  0.00    -0.325 NA
ATOM     34  H   LIG    1        2.615  -1.801   4.027  0.00  0.00    +0.119 HD
ATOM     35  H   LIG    1        2.378  -1.533   5.614  0.00  0.00    +0.119 HD
ENDBRANCH  32  33
ENDBRANCH   5  32
TORSDOF 7