REMARK  Name = BDB053086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.895  -0.789  -3.000  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.221  -0.153  -2.213  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.803  -0.528  -0.950  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.011   0.496  -0.304  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1        0.063   1.582  -1.357  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.697   2.815  -1.345  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.570   3.634  -2.473  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.180   3.217  -3.589  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.816   1.975  -3.596  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.678   1.185  -2.471  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.629   1.018   0.993  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.076   1.020   2.212  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.517   1.486   3.389  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.825   1.961   3.367  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -2.557   2.518   4.819  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.542   1.983   2.176  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.948   1.520   0.998  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1       -1.088  -1.823  -0.359  0.00  0.00    +0.148 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.330  -1.838   0.486  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1       -3.592  -1.719  -0.088  0.00  0.00    +0.115 A 
ATOM     21  N   LIG    1       -4.748  -1.703   0.616  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1       -4.644  -1.814   1.957  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -3.439  -1.944   2.627  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.267  -1.959   1.877  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  25
ATOM     25  O   LIG    1        1.308  -0.039  -0.012  0.00  0.00    -0.347 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.095  -0.480  -1.114  0.00  0.00    +0.172 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.360  -1.108  -0.560  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        3.970  -2.264  -1.334  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        3.260  -2.531  -0.036  0.00  0.00    +0.012 C 
BRANCH  27  30
ATOM     30  C   LIG    1        4.263  -0.109   0.133  0.00  0.00    +0.165 C 
BRANCH  30  31
ATOM     31  O   LIG    1        5.543  -0.653   0.429  0.00  0.00    -0.394 OA
ATOM     32  H   LIG    1        5.410  -1.342   1.100  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 8