REMARK  Name = BDB041275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.191   0.664  -2.560  0.00  0.00    -0.287 NA
ATOM      2  C   LIG    1       -1.021   0.492  -1.333  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1       -2.053   1.465  -1.959  0.00  0.00    +0.202 C 
ATOM      4  C   LIG    1       -1.444   0.980  -3.300  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.368  -0.639  -2.992  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.992  -0.511  -4.389  0.00  0.00    +0.031 C 
BRANCH   5  16
ATOM      7  C   LIG    1        5.316  -1.980   1.079  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        5.456  -0.572   0.586  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        6.377   0.153   0.948  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        4.505  -0.121  -0.292  0.00  0.00    -0.322 N 
ATOM     11  H   LIG    1        4.622   0.830  -0.614  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        3.422  -0.894  -0.728  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        3.286  -2.196  -0.256  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.197  -2.922  -0.709  0.00  0.00    +0.121 A 
ATOM     15  N   LIG    1        1.272  -2.439  -1.573  0.00  0.00    -0.258 NA
ATOM     16  C   LIG    1        1.428  -1.164  -2.019  0.00  0.00    +0.060 A 
ATOM     17  C   LIG    1        2.495  -0.362  -1.616  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        4.274  -2.731   0.678  0.00  0.00    +0.020 A 
BRANCH   7  20
ATOM     19  C   LIG    1        7.653  -2.861   1.355  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        6.354  -2.474   2.048  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   5  16
ENDBRANCH   1   5
BRANCH   3  21
ATOM     21  O   LIG    1       -3.454   1.168  -1.775  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.006   1.317  -0.528  0.00  0.00    +0.175 A 
ATOM     23  C   LIG    1       -5.232   0.694  -0.288  0.00  0.00    +0.256 A 
ATOM     24  F   LIG    1       -5.799  -0.018  -1.275  0.00  0.00    -0.180 F 
ATOM     25  N   LIG    1       -5.905   0.753   0.881  0.00  0.00    -0.211 NA
ATOM     26  C   LIG    1       -5.328   1.475   1.867  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1       -4.112   2.141   1.727  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -3.443   2.060   0.505  0.00  0.00    +0.052 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.070   1.535   3.167  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -6.123   2.784   3.769  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -5.919   3.597   3.203  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -6.929   2.979   4.949  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -6.594   0.535   3.643  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6