REMARK  Name = BDB005102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.847   0.509  -2.845  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.720  -0.489  -2.698  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        0.479  -0.143  -2.051  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        1.538  -1.055  -1.942  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.394  -2.325  -2.498  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.211  -2.681  -3.151  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.838  -1.769  -3.254  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        2.691  -0.623  -1.252  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.647   0.318  -0.884  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        3.881  -1.309  -1.095  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        4.189  -2.381  -1.600  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1        4.890  -0.617  -0.246  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        6.242  -0.725  -0.596  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        7.206  -0.090   0.183  0.00  0.00    +0.019 A 
ATOM     15 BR   LIG    1        9.031  -0.222  -0.292  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1        6.839   0.642   1.312  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        5.494   0.734   1.673  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.518   0.102   0.899  0.00  0.00    +0.013 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1       -2.104   1.248  -1.608  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -2.589   2.119  -1.806  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -4.033   1.079   2.834  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1       -3.807   0.469   1.582  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.051   1.187   0.635  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -2.842   0.565  -0.614  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1       -3.324  -0.654  -0.892  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -4.011  -1.261   0.071  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -2.528   2.465   0.960  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -2.760   3.046   2.198  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -4.285  -0.760   1.281  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -3.515   2.355   3.132  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1       -5.359  -0.798   3.709  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       -5.203  -1.285   2.831  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -5.873  -1.251   4.451  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1       -4.823   0.435   3.930  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1       -4.995   0.992   5.010  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6