REMARK  Name = BDB014747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.145   5.559  -0.840  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.079   4.528  -0.575  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.486   3.207  -0.436  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.577   2.245  -0.084  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.122   0.847  -0.300  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.822  -0.387  -0.223  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.002  -1.407  -0.490  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1        1.206  -0.849  -0.715  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1        1.175   0.508  -0.620  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        2.279   1.473  -0.820  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        1.886   2.811  -0.157  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.103   4.865  -0.499  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -2.144  -0.447   0.073  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -2.635   0.432   0.183  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.013  -1.546   0.266  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -2.594  -2.881   0.256  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -3.511  -3.919   0.446  0.00  0.00    +0.020 A 
ATOM     18 BR   LIG    1       -2.911  -5.714   0.432  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -4.861  -3.650   0.648  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -5.298  -2.329   0.658  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -4.382  -1.290   0.468  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1        2.335  -1.694  -1.084  0.00  0.00    +0.147 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.198  -2.178   0.049  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1        3.249  -1.540   1.419  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        2.604  -2.888   1.242  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4