REMARK  Name = BDB043219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.803  -1.952   0.171  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -1.600  -0.899  -0.038  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.055   0.320  -0.039  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.253   0.544   0.131  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        1.069  -0.503   0.323  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.555  -1.784   0.366  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.427  -0.270   0.530  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        2.841   1.139   0.634  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        4.329   1.213   1.045  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        5.256   0.590   0.072  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        6.434   0.060   0.752  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        4.578  -0.437  -0.743  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.416  -1.193  -0.053  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -1.324  -3.266   0.232  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -0.709  -3.913  -0.242  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -5.410  -6.054   0.227  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1       -4.391  -4.993   0.355  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -4.675  -3.760   0.868  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -5.563  -3.412   1.214  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -3.620  -2.938   0.912  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -2.614  -3.645   0.391  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1       -3.051  -4.949   0.040  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1       -1.969   1.354  -0.232  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1       -2.891   0.941  -0.267  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.871   2.744  -0.299  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -0.658   3.442  -0.259  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -0.616   4.841  -0.334  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1       -1.807   5.561  -0.453  0.00  0.00    +0.126 A 
ATOM     29  C   LIG    1       -3.033   4.891  -0.499  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -3.054   3.494  -0.423  0.00  0.00    +0.025 A 
BRANCH  28  31
ATOM     31  N   LIG    1       -1.772   7.026  -0.531  0.00  0.00    +0.056 N 
ATOM     32  O   LIG    1       -2.851   7.624  -0.647  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1       -0.664   7.581  -0.478  0.00  0.00    -0.126 OA
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 6