REMARK  Name = BDB014105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.191  -0.419  -0.371  0.00  0.00    -0.254 N 
ATOM      2  C   LIG    1       -0.738   0.739  -0.608  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.973  -0.009  -0.880  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.827  -1.358  -0.804  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -3.083  -1.877  -1.072  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -3.978  -0.900  -1.313  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -3.263   0.248  -1.178  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -3.914   1.522  -1.343  0.00  0.00    +0.172 C 
ATOM      9  C   LIG    1       -0.472  -1.679  -0.487  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.041  -2.814  -0.378  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        3.799  -1.207   0.463  0.00  0.00    +0.151 A 
ATOM     12  C   LIG    1        4.365   0.073   0.332  0.00  0.00    +0.154 A 
ATOM     13  N   LIG    1        5.657   0.507   0.497  0.00  0.00    -0.126 NA
ATOM     14  N   LIG    1        5.691   1.811   0.257  0.00  0.00    -0.065 NA
ATOM     15  N   LIG    1        4.441   2.196  -0.047  0.00  0.00    -0.247 N 
ATOM     16  C   LIG    1        4.186   3.581  -0.341  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1        3.561   1.147  -0.028  0.00  0.00    +0.094 A 
ATOM     18  C   LIG    1        2.187   1.023  -0.280  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        1.595  -0.246  -0.142  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        2.412  -1.331   0.232  0.00  0.00    +0.071 A 
BRANCH  11  22
ATOM     21  C   LIG    1        4.135  -3.557   0.657  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        4.627  -2.234   0.832  0.00  0.00    -0.493 OA
ENDBRANCH  11  22
ENDBRANCH   1  19
BRANCH   2  23
ATOM     23  C   LIG    1       -0.884   1.685   0.571  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -0.965   1.216   1.895  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -1.114   2.107   2.960  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.192   3.475   2.714  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -1.376   4.573   4.024  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -1.124   3.960   1.410  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.974   3.070   0.344  0.00  0.00    +0.007 A 
ENDBRANCH   2  23
BRANCH   5  30
ATOM     30  C   LIG    1       -3.434  -3.383  -1.113  0.00  0.00    +0.040 C 
ATOM     31  C   LIG    1       -3.339  -4.194   0.155  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -4.684  -3.870  -0.425  0.00  0.00    +0.010 C 
ENDBRANCH   5  30
TORSDOF 4