REMARK  Name = BDB048362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.378   4.423   0.344  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.981   3.858   0.368  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.790   2.599  -0.188  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.393   2.121  -0.226  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.341   0.660  -0.493  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.251  -0.252  -0.487  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.671  -1.481  -0.809  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.003  -1.374  -0.974  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.442  -0.095  -0.834  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.822   0.429  -0.957  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.752   1.963  -1.115  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.063   4.503   0.876  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.013   0.144  -0.197  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.152   1.116   0.051  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.233  -0.570  -0.128  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.405   0.136   0.203  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        4.662  -0.493   0.288  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.736  -1.866   0.030  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.587  -2.583  -0.302  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.350  -1.938  -0.381  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.857   0.285   0.640  0.00  0.00    +0.093 A 
ATOM     22  N   LIG    1        5.801   1.615   0.842  0.00  0.00    -0.174 NA
ATOM     23  N   LIG    1        7.057   1.973   1.139  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        7.242   2.952   1.332  0.00  0.00    +0.188 HD
ATOM     25  C   LIG    1        7.934   0.935   1.141  0.00  0.00    +0.105 A 
ATOM     26  C   LIG    1        7.193  -0.176   0.822  0.00  0.00    +0.049 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.779  -2.557  -1.327  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.391  -3.314  -0.180  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.615  -2.745   1.202  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.553  -3.788   0.983  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5