REMARK  Name = BDB028028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.955  -0.040  -0.115  0.00  0.00    +0.121 A 
ATOM      2  N   LIG    1        1.487   1.067  -0.667  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1        2.838   1.155  -0.764  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1        3.752   0.182  -0.355  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        3.184  -0.927   0.258  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.793  -1.043   0.371  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.624  -0.584  -0.512  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1       -3.269  -0.338  -0.542  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.351  -1.329  -1.095  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1       -1.049  -1.451  -0.281  0.00  0.00    +0.125 C 
ATOM     11  N   LIG    1       -0.429  -0.142   0.004  0.00  0.00    -0.312 N 
ATOM     12  C   LIG    1       -1.190   1.053  -0.394  0.00  0.00    +0.125 C 
ATOM     13  C   LIG    1       -2.674   0.895  -0.022  0.00  0.00    +0.130 C 
ATOM     14  O   LIG    1       -5.138  -1.604  -0.953  0.00  0.00    -0.226 OA
BRANCH   7  15
ATOM     15  O   LIG    1       -5.308   0.436   0.068  0.00  0.00    -0.445 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -7.117   1.709   0.901  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -6.750   0.387   0.210  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1       -7.444   0.341  -1.156  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1       -7.183  -0.773   1.113  0.00  0.00    +0.055 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        5.123   0.429  -0.460  0.00  0.00    -0.332 N 
ATOM     21  H   LIG    1        5.314   0.944  -1.325  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1        6.113  -0.638  -0.233  0.00  0.00    +0.158 C 
ATOM     23  C   LIG    1        7.380  -0.315  -1.046  0.00  0.00    +0.239 C 
ATOM     24  O   LIG    1        7.421  -0.436  -2.271  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1        8.442   0.232  -0.369  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1        9.235   0.497  -0.938  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1        8.429   0.760   0.895  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1        9.353   1.464   1.292  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1        7.205   0.487   1.733  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1        6.472  -0.756   1.250  0.00  0.00    +0.041 C 
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5