REMARK  Name = BDB054675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.015  -0.384   2.146  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        0.850  -0.694   2.946  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        0.853  -1.022   4.189  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -0.361  -0.610   2.237  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.435  -0.259   0.885  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.728   0.030   0.166  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        2.013  -0.012   0.735  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        3.047   0.266   0.016  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.710  -0.194   0.234  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.779  -0.139  -0.311  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.049  -0.073  -0.960  0.00  0.00    -0.011 A 
ATOM     12  C   LIG    1       -4.171   0.575  -2.191  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.415   0.634  -2.812  0.00  0.00    +0.127 A 
ATOM     14  F   LIG    1       -5.537   1.256  -3.993  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -6.537   0.060  -2.229  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1       -6.402  -0.582  -1.005  0.00  0.00    +0.127 A 
ATOM     17  F   LIG    1       -7.479  -1.140  -0.435  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -5.170  -0.655  -0.362  0.00  0.00    +0.047 A 
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1        3.309  -0.443   2.791  0.00  0.00    +0.058 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.080  -0.271   3.054  0.00  0.00    -0.048 C 
ATOM     21  C   LIG    1        4.800  -0.410   3.155  0.00  0.00    -0.030 C 
ATOM     22  C   LIG    1        7.081  -0.493   4.203  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1        6.526   0.105   1.766  0.00  0.00    +0.026 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.495   0.491   0.282  0.00  0.00    +0.030 C 
BRANCH  24  27
ATOM     25  C   LIG    1        5.537   2.564  -2.780  0.00  0.00    +0.026 C 
ATOM     26  C   LIG    1        5.473   1.078  -2.290  0.00  0.00    -0.048 C 
ATOM     27  C   LIG    1        6.020   0.824  -1.141  0.00  0.00    -0.034 C 
ATOM     28  C   LIG    1        5.748   0.050  -3.438  0.00  0.00    +0.026 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7