REMARK  Name = BDB045516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.411   0.084  -0.083  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.077  -0.068   0.353  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        3.815  -0.525   1.694  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.459  -0.580   1.850  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        1.931  -0.170   0.644  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        4.742  -0.858   2.676  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        6.062  -0.698   2.210  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        2.899   0.165  -0.249  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.388  -0.249   0.893  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.555  -0.063   0.288  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -0.462  -0.379   1.197  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.805  -0.265   0.818  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -2.159   0.162  -0.471  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1       -1.134   0.477  -1.374  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        0.209   0.366  -1.001  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.609   0.292  -0.902  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.366  -1.051  -0.829  0.00  0.00    +0.089 C 
ATOM     18  N   LIG    1       -5.769  -0.928  -1.252  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -5.793  -0.634  -2.229  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -6.478   0.061  -0.438  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -5.819   1.437  -0.508  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -4.350   1.371  -0.094  0.00  0.00    +0.010 C 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  26
ATOM     23  N   LIG    1        6.873   1.327  -1.543  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        7.239   1.827  -0.745  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        7.026   1.733  -2.458  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.765   0.525  -1.440  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        5.134   0.205  -2.436  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3