REMARK  Name = BDB002298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.657   1.757  -0.010  0.00  0.00    +0.234 C 
ATOM      2  C   LIG    1        2.097   2.022   1.399  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1        2.608   2.817   2.187  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        0.837   1.288   1.764  0.00  0.00    +0.073 C 
ATOM      5 BR   LIG    1        0.642   0.855   3.575  0.00  0.00    -0.046 Br
ATOM      6  C   LIG    1       -0.063   1.042   0.785  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.200   1.482  -0.599  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -0.771   1.343  -1.519  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.021   0.805  -1.224  0.00  0.00    -0.343 N 
ATOM     10  C   LIG    1       -2.258   0.259   0.047  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -1.343   0.352   1.040  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        1.532   2.017  -1.005  0.00  0.00    +0.216 C 
ATOM     13  O   LIG    1        1.688   2.572  -2.091  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1        3.857   2.655  -0.324  0.00  0.00    +0.073 C 
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -3.511  -0.459   0.340  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1       -3.680  -1.785  -0.070  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -4.864  -2.466   0.225  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -5.890  -1.837   0.935  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -5.722  -0.517   1.353  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.537   0.168   1.060  0.00  0.00    +0.013 A 
BRANCH  18  21
ATOM     21  O   LIG    1       -6.992  -2.616   1.154  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -8.068  -2.023   1.871  0.00  0.00    +0.277 C 
ENDBRANCH  18  21
ENDBRANCH  10  15
BRANCH   9  23
ATOM     23  C   LIG    1       -2.978   0.618  -2.330  0.00  0.00    +0.087 C 
ATOM     24  C   LIG    1       -4.338   1.270  -2.323  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -3.307   1.720  -3.308  0.00  0.00    +0.027 C 
ENDBRANCH   9  23
BRANCH   1  26
ATOM     26  O   LIG    1        2.990   0.379  -0.296  0.00  0.00    -0.442 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.824  -0.268   0.558  0.00  0.00    +0.309 C 
ATOM     28  O   LIG    1        4.218   0.179   1.622  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  C   LIG    1        4.142  -1.645   0.031  0.00  0.00    +0.132 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.458  -2.161   0.603  0.00  0.00    +0.132 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.625  -1.338   0.113  0.00  0.00    +0.307 C 
ATOM     32  O   LIG    1        6.558  -0.480  -0.756  0.00  0.00    -0.251 OA
BRANCH  31  34
ATOM     33  C   LIG    1        8.921  -0.979   0.379  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        7.760  -1.716   0.764  0.00  0.00    -0.468 OA
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9