REMARK  Name = BDB005050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.817  -0.698  -0.514  0.00  0.00    -0.328 N 
ATOM      2  H   LIG    1       -2.264  -0.247  -1.308  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -6.190  -1.579   1.388  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -4.886  -1.056   1.525  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -4.019  -1.174   0.420  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.725  -0.633   0.572  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1       -2.315  -0.068   1.716  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.203  -0.011   2.705  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -4.457  -1.820  -0.764  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.742  -2.331  -0.876  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -4.462  -0.464   2.664  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -6.608  -2.205   0.198  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -6.884  -0.916   3.653  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.953  -0.536   3.800  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -7.566  -0.879   4.396  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -7.218  -1.514   2.475  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -8.341  -1.984   2.325  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.491  -0.124  -0.244  0.00  0.00    +0.111 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.462  -0.383  -1.437  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1        0.143   0.533  -2.642  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        0.919   1.817  -2.642  0.00  0.00    -0.024 C 
ATOM     22  C   LIG    1        2.073   1.948  -1.970  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        2.652   0.849  -1.223  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        1.900  -0.239  -0.971  0.00  0.00    +0.001 C 
BRANCH  23  25
ATOM     25  N   LIG    1        3.946   0.879  -0.748  0.00  0.00    -0.282 N 
ATOM     26  H   LIG    1        4.226   0.060  -0.224  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1        4.885   1.894  -0.835  0.00  0.00    +0.248 C 
ATOM     28  O   LIG    1        4.720   3.019  -1.290  0.00  0.00    -0.270 OA
BRANCH  27  29
ATOM     29  C   LIG    1        6.221   1.562  -0.271  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        6.783   0.292  -0.409  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1        8.034   0.079   0.143  0.00  0.00    +0.111 A 
ATOM     32  N   LIG    1        8.734   1.026   0.801  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1        8.175   2.252   0.898  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        6.934   2.569   0.380  0.00  0.00    +0.033 A 
ENDBRANCH  27  29
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6