REMARK  Name = BDB052487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.747  -1.119   0.063  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        0.419  -1.336  -0.230  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1       -0.354  -0.720  -0.008  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        0.305  -2.509  -0.934  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        1.619  -2.918  -1.097  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        1.977  -4.025  -1.783  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.934  -4.707  -2.304  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -0.411  -4.360  -2.182  0.00  0.00    +0.059 A 
ATOM      9 BR   LIG    1       -1.703  -5.492  -2.998  0.00  0.00    -0.047 Br
ATOM     10  C   LIG    1       -0.790  -3.212  -1.456  0.00  0.00    +0.073 A 
ATOM     11  N   LIG    1        2.491  -2.062  -0.488  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.280   2.169   2.349  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        4.104   1.463   1.477  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.588   0.391   0.738  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.243   0.011   0.851  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        1.426   0.720   1.738  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        1.943   1.790   2.477  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.011   3.639   3.047  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        3.651   3.231   3.127  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH  10  20
ATOM     20  N   LIG    1       -2.132  -2.831  -1.316  0.00  0.00    -0.325 N 
ATOM     21  C   LIG    1       -2.579  -1.890  -2.359  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -2.292  -0.410  -1.991  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1       -2.347  -0.070  -0.538  0.00  0.00    -0.299 NA
ATOM     24  C   LIG    1       -3.172  -1.075   0.168  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -2.599  -2.509   0.048  0.00  0.00    +0.120 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -2.897   1.279  -0.327  0.00  0.00    +0.088 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.934   2.330  -0.799  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -0.918   2.926   0.142  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -2.084   3.753  -0.319  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  10  20
TORSDOF 5