REMARK  Name = BDB064698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.373   0.306  -0.149  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -3.156   0.188  -0.244  0.00  0.00    +0.188 C 
ATOM      3  C   LIG    1       -2.499  -1.086  -0.653  0.00  0.00    +0.017 C 
ATOM      4  C   LIG    1       -3.268  -2.188  -0.728  0.00  0.00    +0.018 C 
ATOM      5  C   LIG    1       -1.040  -0.972  -0.948  0.00  0.00    +0.147 C 
ATOM      6  N   LIG    1       -0.417  -0.340   0.204  0.00  0.00    -0.293 N 
ATOM      7  C   LIG    1        0.679  -0.960   0.797  0.00  0.00    +0.216 C 
ATOM      8  O   LIG    1        1.031  -2.097   0.481  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -0.849   1.014   0.530  0.00  0.00    +0.147 C 
ATOM     10  C   LIG    1       -2.231   1.322   0.040  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -2.726   2.557  -0.171  0.00  0.00    +0.018 C 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.789  -3.521  -1.120  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -3.151  -4.125  -2.335  0.00  0.00    +0.025 A 
ATOM     14 BR   LIG    1       -4.271  -3.256  -3.601  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1       -2.677  -5.401  -2.661  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -1.840  -6.083  -1.779  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -1.476  -5.494  -0.570  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -1.951  -4.223  -0.241  0.00  0.00    +0.009 A 
ENDBRANCH   4  12
BRANCH  11  19
ATOM     19  C   LIG    1       -1.967   3.791   0.062  0.00  0.00    -0.011 A 
ATOM     20  C   LIG    1       -1.163   4.394  -0.919  0.00  0.00    +0.025 A 
ATOM     21 BR   LIG    1       -0.995   3.669  -2.668  0.00  0.00    -0.050 Br
ATOM     22  C   LIG    1       -0.449   5.561  -0.628  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -0.533   6.134   0.641  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -1.329   5.544   1.620  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.043   4.378   1.333  0.00  0.00    +0.009 A 
ENDBRANCH  11  19
BRANCH   7  26
ATOM     26  C   LIG    1        1.383  -0.195   1.912  0.00  0.00    +0.100 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.760  -0.764   2.260  0.00  0.00    +0.044 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.826  -0.311   1.289  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        4.481   0.914   1.476  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.451   1.344   0.568  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.771   0.556  -0.536  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.123  -0.662  -0.732  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.155  -1.093   0.175  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 5