REMARK  Name = BDB021559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.923   0.373   1.207  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        3.319   1.703   1.223  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        3.354   0.513   0.895  0.00  0.00    +0.252 C 
ATOM      4  N   LIG    1        2.227  -0.292   1.044  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        2.207  -1.719   0.783  0.00  0.00    +0.149 C 
ATOM      6  C   LIG    1        3.389  -2.400   1.438  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1        4.471  -2.460   0.532  0.00  0.00    -0.474 OA
ATOM      8  C   LIG    1        5.094  -1.306   0.192  0.00  0.00    +0.229 A 
ATOM      9  N   LIG    1        6.296  -1.613  -0.366  0.00  0.00    -0.201 NA
ATOM     10  C   LIG    1        7.087  -0.609  -0.780  0.00  0.00    +0.133 A 
ATOM     11 CL   LIG    1        8.580  -1.100  -1.463  0.00  0.00    -0.062 Cl
ATOM     12  C   LIG    1        6.755   0.719  -0.679  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        5.521   1.021  -0.115  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        4.646   0.006   0.338  0.00  0.00    +0.098 A 
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.079   0.380  -0.084  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  O   LIG    1        0.793   1.012  -1.155  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1        0.098   1.356  -1.752  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.253   1.130   0.142  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.002   1.304  -1.125  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.653   0.060  -1.587  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -3.887  -0.341  -0.807  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.630   0.615  -0.090  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.789   0.225   0.594  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.222  -1.100   0.549  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.499  -2.045  -0.176  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.149   2.042  -0.002  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -4.340  -1.668  -0.855  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.032   2.356  -1.009  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5