REMARK  Name = BDB052488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.240  -0.277  -0.257  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        0.977  -0.787  -0.052  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        0.184  -0.305   0.355  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        0.944  -2.074  -0.526  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        2.220  -2.288  -1.011  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        2.615  -3.454  -1.566  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        1.644  -4.397  -1.595  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1        0.335  -4.251  -1.128  0.00  0.00    +0.059 A 
ATOM      9 BR   LIG    1       -0.833  -5.738  -1.304  0.00  0.00    -0.047 Br
ATOM     10  C   LIG    1       -0.072  -3.032  -0.564  0.00  0.00    +0.073 A 
ATOM     11  N   LIG    1        3.002  -1.178  -0.859  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.516   3.690   0.769  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.400   3.130   1.395  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.975   1.835   1.078  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.655   1.078   0.117  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        3.781   1.644  -0.497  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        4.208   2.939  -0.178  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        4.978   5.554   0.597  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        3.820   4.961   1.171  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH  10  20
ATOM     20  N   LIG    1       -1.310  -2.694  -0.068  0.00  0.00    -0.325 N 
ATOM     21  C   LIG    1       -2.360  -2.378  -1.046  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -3.761  -2.304  -0.381  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1       -3.826  -1.816   1.006  0.00  0.00    -0.294 NA
ATOM     24  C   LIG    1       -2.756  -2.363   1.869  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -1.766  -3.327   1.171  0.00  0.00    +0.120 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.012  -0.364   1.153  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.992   0.494   0.464  0.00  0.00    +0.098 A 
ATOM     28  N   LIG    1       -1.770   0.696   0.981  0.00  0.00    -0.082 NA
ATOM     29  O   LIG    1       -1.129   1.555   0.110  0.00  0.00    -0.360 OA
ATOM     30  C   LIG    1       -1.955   1.862  -0.922  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1       -1.408   2.769  -1.946  0.00  0.00    +0.089 C 
ATOM     32  C   LIG    1       -3.156   1.225  -0.741  0.00  0.00    +0.072 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  10  20
TORSDOF 5