REMARK  Name = BDB035046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.376  -0.549  -0.472  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.767   0.697  -0.145  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.388   0.752  -0.221  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.019   2.051   0.051  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.194   2.704   0.343  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.401  -0.367  -0.546  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.169  -1.498  -0.865  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.270   1.860   0.234  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -1.549  -1.553  -0.839  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.359  -0.601  -1.330  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.979  -0.826  -0.838  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.738  -1.748   0.103  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.412  -1.652   0.331  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -3.840  -2.459   1.387  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.781  -0.765  -0.509  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.793  -0.184  -1.250  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -1.351   4.082   0.698  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -1.434   5.205   0.982  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.778  -0.287  -0.541  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.118  -1.143  -0.987  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.470  -0.146   0.738  0.00  0.00    +0.142 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.960  -0.248   0.535  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1        4.775   0.903   0.383  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        6.148   0.749   0.207  0.00  0.00    +0.135 A 
ATOM     25  O   LIG    1        6.755   1.962   0.092  0.00  0.00    -0.463 OA
ATOM     26  C   LIG    1        5.781   2.904   0.172  0.00  0.00    +0.196 A 
ATOM     27  C   LIG    1        6.803  -0.476   0.157  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        6.003  -1.612   0.288  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        4.552   2.312   0.348  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        4.619  -1.503   0.473  0.00  0.00    +0.046 A 
ATOM     31 CL   LIG    1        3.731  -2.985   0.601  0.00  0.00    -0.083 Cl
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5