REMARK  Name = BDB035043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.138   0.322  -1.538  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1       -1.390   0.009  -1.003  0.00  0.00    -0.282 N 
ATOM      3  O   LIG    1        0.025   0.810  -2.655  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      4  C   LIG    1        6.029  -0.065   3.349  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        4.768   0.165   2.571  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        3.755   0.998   3.037  0.00  0.00    +0.120 A 
ATOM      7  N   LIG    1        2.607   1.197   2.368  0.00  0.00    -0.231 NA
ATOM      8  C   LIG    1        2.444   0.571   1.186  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        3.409  -0.282   0.611  0.00  0.00    +0.090 A 
ATOM     10  N   LIG    1        3.252  -0.902  -0.579  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1        2.088  -0.689  -1.236  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        1.074   0.107  -0.738  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        1.271   0.761   0.477  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        4.573  -0.467   1.336  0.00  0.00    +0.036 A 
BRANCH   6  15
ATOM     15  N   LIG    1        3.854   1.658   4.258  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        3.018   2.228   4.357  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        4.697   2.217   4.314  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -1.567  -0.964   0.109  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -2.784  -0.689   0.997  0.00  0.00    +0.036 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -1.539  -2.406  -0.401  0.00  0.00    +0.149 A 
ATOM     21  N   LIG    1       -2.666  -2.935  -0.921  0.00  0.00    -0.238 NA
ATOM     22  C   LIG    1       -2.576  -4.187  -1.409  0.00  0.00    +0.114 A 
ATOM     23  C   LIG    1       -1.414  -4.920  -1.409  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -0.317  -4.292  -0.873  0.00  0.00    +0.114 A 
ATOM     25  N   LIG    1       -0.348  -3.043  -0.371  0.00  0.00    -0.238 NA
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   2  26
ATOM     26  C   LIG    1       -2.555   0.305  -1.848  0.00  0.00    +0.164 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.129   1.682  -1.569  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1       -4.193   1.759  -0.725  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1       -4.691   2.991  -0.460  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1       -4.176   4.160  -0.995  0.00  0.00    +0.036 A 
ATOM     31 BR   LIG    1       -4.932   5.833  -0.569  0.00  0.00    -0.049 Br
ATOM     32  C   LIG    1       -3.089   4.072  -1.852  0.00  0.00    +0.018 A 
ATOM     33  C   LIG    1       -2.556   2.817  -2.144  0.00  0.00    +0.026 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6