REMARK  Name = BDB048704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.449   2.176  -0.258  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -1.610   2.789  -0.558  0.00  0.00    -0.007 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.234   0.977   0.621  0.00  0.00    +0.256 C 
BRANCH   3   4
ATOM      4  O   LIG    1        0.342  -0.081  -0.147  0.00  0.00    -0.488 OA
BRANCH   4  10
ATOM      5  C   LIG    1        3.935  -3.041  -1.439  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        3.506  -1.742  -0.815  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        4.449  -0.829  -0.318  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        4.008   0.370   0.249  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        2.640   0.663   0.329  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        1.698  -0.241  -0.151  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        2.138  -1.435  -0.728  0.00  0.00    +0.052 A 
BRANCH   7  12
ATOM     12  O   LIG    1        5.761  -1.203  -0.441  0.00  0.00    -0.481 OA
BRANCH  12  13
ATOM     13  C   LIG    1        6.749  -0.298   0.060  0.00  0.00    +0.349 C 
BRANCH  13  14
ATOM     14  C   LIG    1        8.122  -0.907  -0.170  0.00  0.00    +0.343 C 
ATOM     15  O   LIG    1        9.171  -0.367   0.151  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1        8.078  -2.120  -0.773  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        7.141  -2.365  -0.943  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   4  10
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  18
ATOM     18  C   LIG    1       -3.023   2.451  -0.121  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.264   2.737   1.359  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -3.508   1.728   2.307  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.717   2.042   3.654  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -3.686   3.370   4.070  0.00  0.00    +0.018 A 
ATOM     23 BR   LIG    1       -3.966   3.791   5.890  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1       -3.449   4.388   3.152  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -3.240   4.073   1.807  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -3.373   1.092  -0.579  0.00  0.00    -0.085 C 
ATOM     27  C   LIG    1       -3.611  -0.023  -0.958  0.00  0.00    -0.065 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.836  -1.363  -1.399  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1       -2.748  -2.217  -1.603  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1       -2.959  -3.530  -2.030  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -4.259  -3.983  -2.252  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -4.521  -5.600  -2.778  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -5.348  -3.136  -2.049  0.00  0.00    +0.021 A 
ATOM     34  C   LIG    1       -5.136  -1.823  -1.621  0.00  0.00    +0.018 A 
ENDBRANCH  27  28
ENDBRANCH  18  26
ENDBRANCH   2  18
TORSDOF 11