REMARK  Name = BDB048302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.916  -0.275   1.941  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.798  -1.523   1.807  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -1.884  -2.237   3.155  0.00  0.00    +0.052 C 
BRANCH   2   4
ATOM      4  O   LIG    1       -3.122  -1.113   1.433  0.00  0.00    -0.488 OA
BRANCH   4   5
ATOM      5  C   LIG    1       -3.663  -1.735   0.335  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1       -4.347  -0.938  -0.610  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -4.888  -1.578  -1.744  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -4.787  -2.957  -1.911  0.00  0.00    +0.042 A 
ATOM      9 CL   LIG    1       -5.469  -3.706  -3.302  0.00  0.00    -0.084 Cl
ATOM     10  C   LIG    1       -4.148  -3.735  -0.953  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.591  -3.126   0.171  0.00  0.00    +0.048 A 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.497   0.523  -0.476  0.00  0.00    +0.074 A 
ATOM     13  N   LIG    1       -4.214   1.239  -1.595  0.00  0.00    -0.255 NA
ATOM     14  C   LIG    1       -4.328   2.584  -1.526  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -4.726   3.267  -0.390  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.028   2.526   0.744  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.917   1.139   0.703  0.00  0.00    +0.028 A 
ENDBRANCH   6  12
ENDBRANCH   4   5
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.770   0.486   0.624  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.187   1.538   0.767  0.00  0.00    -0.492 OA
BRANCH  19  25
ATOM     20  C   LIG    1        3.982  -1.482  -0.344  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        3.437  -0.110  -0.049  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        4.271   1.025   0.004  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        3.700   2.274   0.296  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.332   2.394   0.542  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        1.501   1.276   0.497  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        2.058   0.030   0.209  0.00  0.00    +0.049 A 
BRANCH  22  27
ATOM     27  C   LIG    1        5.757   0.959  -0.272  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.069   1.232  -1.741  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.545   1.144  -2.002  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        8.425   0.870  -1.205  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.846   1.408  -3.289  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        8.821   1.320  -3.332  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11