REMARK  Name = BDB045488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.750  -0.066   0.059  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -1.123   0.201   0.961  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        1.378   0.226   1.168  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.650  -0.096   0.003  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        1.371  -0.429  -1.141  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.774  -0.444  -1.134  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        3.518  -0.135   0.011  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        2.783   0.205   1.159  0.00  0.00    +0.070 A 
BRANCH   7   9
ATOM      9  N   LIG    1        4.904  -0.147   0.013  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        5.681  -0.144  -1.238  0.00  0.00    +0.120 C 
ATOM     11  C   LIG    1        7.114   0.378  -0.981  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        7.892  -0.435  -0.020  0.00  0.00    -0.302 NA
ATOM     13  C   LIG    1        8.923   0.376   0.621  0.00  0.00    +0.105 C 
ATOM     14  C   LIG    1        7.010  -1.089   0.969  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1        5.667  -0.374   1.253  0.00  0.00    +0.120 C 
ENDBRANCH   7   9
BRANCH   3  17
ATOM     16  C   LIG    1        1.284   0.909   3.457  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        0.604   0.553   2.262  0.00  0.00    -0.493 OA
ENDBRANCH   3  17
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1       -1.775  -0.295  -0.848  0.00  0.00    +0.220 A 
ATOM     19  N   LIG    1       -3.014  -0.144  -0.356  0.00  0.00    -0.214 NA
ATOM     20  C   LIG    1       -4.051  -0.344  -1.196  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1       -3.888  -0.711  -2.511  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -2.589  -0.847  -2.923  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1       -1.531  -0.643  -2.120  0.00  0.00    -0.223 NA
BRANCH  20  24
ATOM     24  C   LIG    1       -5.379  -0.174  -0.622  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -6.572   0.399  -1.172  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -7.573   0.287  -0.201  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -8.869   0.744  -0.426  0.00  0.00    +0.137 A 
ATOM     28  N   LIG    1       -9.176   1.320  -1.610  0.00  0.00    -0.261 NA
ATOM     29  C   LIG    1       -8.211   1.449  -2.542  0.00  0.00    +0.111 A 
ATOM     30  N   LIG    1       -7.003  -0.309   0.902  0.00  0.00    -0.348 N 
ATOM     31  C   LIG    1       -7.691  -0.597   2.141  0.00  0.00    +0.149 C 
ATOM     32  C   LIG    1       -6.902   1.017  -2.391  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -5.685  -0.584   0.662  0.00  0.00    +0.096 A 
ENDBRANCH  20  24
ENDBRANCH   1  18
TORSDOF 5