REMARK  Name = BDB006146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.157  -0.375   0.321  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.578  -0.875   1.667  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1       -0.532  -0.824   2.625  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.567  -1.108   3.813  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.613  -0.357   1.879  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.879  -0.099   2.170  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.408   0.264   0.960  0.00  0.00    -0.261 N 
ATOM      8  C   LIG    1        1.442   0.372  -0.046  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.285  -0.080   0.559  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.039   0.178  -2.557  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.200   1.183  -1.445  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.800   0.941  -0.107  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -2.004   1.971   0.843  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.603   3.183   0.495  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.013   3.393  -0.812  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.760   4.880  -1.249  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.818   2.406  -1.774  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.941  -1.120   2.006  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -3.832  -1.822   1.166  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -3.412  -2.555  -0.076  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1       -5.192  -1.918   1.527  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.661  -1.378   2.722  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.772  -0.742   3.575  0.00  0.00    +0.043 A 
ATOM     24 CL   LIG    1       -5.341  -0.079   5.058  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -3.428  -0.618   3.228  0.00  0.00    +0.043 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        1.628   0.847  -1.464  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.135  -0.257  -2.387  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        2.439   2.130  -1.614  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.824   0.621   0.951  0.00  0.00    +0.199 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.692  -0.301   0.129  0.00  0.00    +0.063 A 
ATOM     31  N   LIG    1        4.368  -1.616   0.048  0.00  0.00    -0.258 NA
ATOM     32  C   LIG    1        5.195  -2.432  -0.643  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        6.351  -2.002  -1.267  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        6.685  -0.658  -1.171  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        5.854   0.204  -0.459  0.00  0.00    +0.025 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 5