REMARK  Name = BDB028349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.349  -0.529  -0.323  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1        0.044  -0.691  -0.263  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.823  -0.877  -1.419  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        0.139  -0.901  -2.632  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1       -1.198  -0.762  -2.760  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.897  -0.580  -1.610  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.283  -1.040  -1.347  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        3.077  -0.115  -0.641  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.468  -0.267  -0.561  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.074  -1.357  -1.178  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        6.531  -1.530  -1.063  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        7.196  -0.581  -0.325  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        8.202  -0.685  -0.233  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        6.638   0.505   0.275  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        7.106  -2.472  -1.595  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        4.308  -2.285  -1.888  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        5.352   0.679   0.165  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        2.923  -2.124  -1.972  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.758   1.917   0.833  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.115   1.525   2.089  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        3.828   2.369   2.585  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.824   1.092   2.686  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3   7
BRANCH   1  24
ATOM     23  C   LIG    1       -1.561   0.464   1.907  0.00  0.00    +0.135 C 
ATOM     24  N   LIG    1       -2.147  -0.356   0.837  0.00  0.00    -0.300 N 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.578  -0.407   0.843  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1       -4.406   0.720   1.083  0.00  0.00    +0.092 A 
ATOM     27  C   LIG    1       -5.809   0.524   1.057  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.651   1.622   1.284  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -6.111   2.877   1.518  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -4.739   2.993   1.519  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -6.361  -0.742   0.800  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -5.540  -1.834   0.558  0.00  0.00    +0.003 A 
ATOM     33  N   LIG    1       -3.897   1.958   1.311  0.00  0.00    -0.253 NA
ATOM     34  C   LIG    1       -4.161  -1.666   0.577  0.00  0.00    +0.025 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 5