REMARK  Name = BDB001974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.735  -0.554  -1.173  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.589  -0.385  -0.695  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.096   0.126   0.608  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1        2.590   0.158   0.837  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        3.471  -0.264  -0.189  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        2.837  -0.709  -1.401  0.00  0.00    +0.176 A 
ATOM      7  O   LIG    1        3.500  -1.145  -2.497  0.00  0.00    -0.353 OA
ATOM      8  N   LIG    1        2.562  -1.502  -3.482  0.00  0.00    -0.076 NA
ATOM      9  C   LIG    1        1.335  -1.278  -2.958  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1        0.026  -1.444  -3.444  0.00  0.00    +0.047 A 
ATOM     11 BR   LIG    1       -0.385  -2.099  -5.151  0.00  0.00    -0.048 Br
ATOM     12  C   LIG    1        4.849  -0.230   0.012  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        5.351   0.222   1.235  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.482   0.639   2.250  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.100   0.609   2.055  0.00  0.00    +0.012 A 
ATOM     16  O   LIG    1        0.315   0.530   1.457  0.00  0.00    -0.287 OA
ATOM     17  C   LIG    1        1.510  -0.771  -1.647  0.00  0.00    +0.061 A 
ATOM     18  C   LIG    1       -0.988  -1.071  -2.514  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1       -1.958  -0.231  -0.290  0.00  0.00    +0.236 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.106  -1.223   0.850  0.00  0.00    +0.326 C 
ATOM     21  O   LIG    1       -1.312  -2.124   1.101  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.302  -1.062   1.485  0.00  0.00    -0.464 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -4.201  -3.216   2.125  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -3.549  -1.931   2.600  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  25
ATOM     25  C   LIG    1       -2.062   1.223   0.141  0.00  0.00    +0.326 C 
ATOM     26  O   LIG    1       -2.678   1.635   1.116  0.00  0.00    -0.250 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -1.465   2.047  -0.776  0.00  0.00    -0.464 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.502   3.437  -0.431  0.00  0.00    +0.229 C 
ATOM     29  C   LIG    1       -0.709   4.200  -1.474  0.00  0.00    +0.048 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 7