REMARK  Name = BDB062521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.758  -0.708  -0.253  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.486  -0.108  -0.290  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1        0.522   0.902  -0.232  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.951  -1.918  -0.209  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.158  -1.226   0.887  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -3.860  -1.231   0.507  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -3.193  -0.037   0.084  0.00  0.00    +0.061 A 
ATOM      8  N   LIG    1       -3.957   1.127   0.007  0.00  0.00    -0.313 N 
ATOM      9  C   LIG    1       -3.158   2.146  -0.488  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -1.871   1.634  -0.591  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -5.290   1.157   0.422  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -1.876   0.251  -0.251  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -5.891   0.036   0.853  0.00  0.00    +0.041 A 
BRANCH   5  15
ATOM     14  C   LIG    1       -7.027  -2.476   2.054  0.00  0.00    +0.125 C 
ATOM     15  N   LIG    1       -5.801  -2.381   1.295  0.00  0.00    -0.347 N 
ATOM     16  H   LIG    1       -5.170  -3.168   1.427  0.00  0.00    +0.146 HD
ENDBRANCH   5  15
BRANCH   9  17
ATOM     17  C   LIG    1       -3.527   3.509  -0.833  0.00  0.00    +0.177 C 
ATOM     18  O   LIG    1       -2.726   4.439  -0.725  0.00  0.00    -0.291 OA
ATOM     19  C   LIG    1       -4.903   3.788  -1.380  0.00  0.00    +0.093 C 
ENDBRANCH   9  17
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  C   LIG    1        1.754  -0.732  -0.335  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1        2.874   0.114  -0.296  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1        2.652   1.440  -0.233  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.182  -0.387  -0.332  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.353  -1.776  -0.419  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        3.250  -2.646  -0.480  0.00  0.00    -0.020 A 
ATOM     26  C   LIG    1        1.952  -2.110  -0.424  0.00  0.00    +0.032 A 
BRANCH  23  27
ATOM     27  C   LIG    1        5.348   0.480  -0.290  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        5.421   1.699   0.351  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        6.688   2.166   0.153  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        7.239   3.412   0.626  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.461   1.329  -0.561  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.646   0.306  -0.830  0.00  0.00    +0.143 A 
ENDBRANCH  23  27
BRANCH  25  33
ATOM     33  C   LIG    1        3.433  -4.141  -0.539  0.00  0.00    +0.191 C 
BRANCH  33  34
ATOM     34  O   LIG    1        4.632  -4.474  -1.226  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1        4.664  -5.444  -1.274  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH  25  33
ENDBRANCH   2  20
TORSDOF 7