REMARK  Name = BDB045886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.976  -1.714   2.122  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1        3.300  -1.113   1.295  0.00  0.00    +0.208 C 
ATOM      3  C   LIG    1        3.932  -0.621   0.071  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1        3.192   0.026  -0.894  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        3.739   0.496  -2.051  0.00  0.00    -0.251 NA
ATOM      6  C   LIG    1        5.063   0.311  -2.237  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        5.879  -0.327  -1.320  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.732   0.240  -0.724  0.00  0.00    +0.227 C 
ATOM      9  O   LIG    1        1.085   0.774  -1.620  0.00  0.00    -0.284 OA
ATOM     10  C   LIG    1        1.080  -0.221   0.564  0.00  0.00    +0.099 C 
ATOM     11  C   LIG    1        5.302  -0.802  -0.146  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        1.851  -0.851   1.471  0.00  0.00    +0.113 C 
ATOM     13 CL   LIG    1        1.166  -1.420   2.967  0.00  0.00    -0.078 Cl
ENDROOT
BRANCH  10  14
ATOM     14  N   LIG    1       -0.283   0.019   0.776  0.00  0.00    -0.333 N 
ATOM     15  H   LIG    1       -0.666  -0.470   1.585  0.00  0.00    +0.147 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.291   0.434  -0.184  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1       -2.606   0.691   0.511  0.00  0.00    -0.024 A 
ATOM     18  C   LIG    1       -3.668   0.138  -0.214  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -4.979   0.283   0.208  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.220   0.991   1.388  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.159   1.553   2.115  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.171  -0.530  -1.457  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -2.841   1.412   1.674  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -1.688  -0.725  -1.120  0.00  0.00    +0.031 C 
ENDBRANCH  14  16
ENDBRANCH  10  14
TORSDOF 2