REMARK  Name = BDB019098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.379  -0.533  -0.143  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        0.248  -1.033   0.729  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        4.613   0.172   1.436  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1        4.000   0.140   0.199  0.00  0.00    +0.102 A 
ATOM      5  N   LIG    1        2.668  -0.123   0.474  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1        1.674  -0.252  -0.523  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        2.009  -0.095  -1.776  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        3.332   0.173  -2.066  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        2.547  -0.204   1.838  0.00  0.00    +0.208 A 
ATOM     10  C   LIG    1        4.329   0.292  -1.169  0.00  0.00    +0.063 A 
ATOM     11 BR   LIG    1        6.078   0.653  -1.691  0.00  0.00    -0.046 Br
ATOM     12  N   LIG    1        3.701  -0.045   2.446  0.00  0.00    -0.224 NA
BRANCH   3  14
ATOM     13  N   LIG    1        7.115   0.582   1.989  0.00  0.00    -0.189 NA
ATOM     14  C   LIG    1        5.993   0.398   1.747  0.00  0.00    +0.121 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.627  -0.883  -1.134  0.00  0.00    +0.143 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.980  -0.881  -0.485  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -2.679   0.293  -0.225  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -2.342   1.699  -0.557  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -3.401   2.413   0.284  0.00  0.00    +0.234 C 
ATOM     20  O   LIG    1       -4.494   1.502   0.542  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -3.931   0.263   0.376  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -4.543  -0.917   0.746  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -3.852  -2.107   0.515  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1       -2.588  -2.080  -0.089  0.00  0.00    +0.129 A 
ATOM     25  F   LIG    1       -1.948  -3.242  -0.285  0.00  0.00    -0.205 F 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4