REMARK  Name = BDB052604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.986   1.416   1.182  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        0.393   1.121   1.258  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.078   1.657   2.340  0.00  0.00    +0.233 A 
ATOM      4  O   LIG    1        2.381   1.277   2.311  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1        2.576   0.526   1.188  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1        0.593   2.440   3.310  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -0.700   2.701   3.119  0.00  0.00    +0.227 A 
ATOM      8  C   LIG    1        1.375   0.397   0.501  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1       -1.492   2.251   2.130  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1       -3.582  -2.511   0.329  0.00  0.00    +0.025 C 
ATOM     11  C   LIG    1       -3.469  -0.987   0.363  0.00  0.00    +0.068 C 
ATOM     12  N   LIG    1       -4.394  -0.409  -0.638  0.00  0.00    -0.308 NA
ATOM     13  H   LIG    1       -4.397  -0.982  -1.482  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -3.999   0.968  -1.018  0.00  0.00    +0.068 C 
ATOM     15  C   LIG    1       -5.267   1.776  -1.279  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -3.098   1.674   0.028  0.00  0.00    +0.125 C 
ATOM     17  N   LIG    1       -1.835   0.924   0.183  0.00  0.00    -0.312 N 
ATOM     18  C   LIG    1       -1.987  -0.549   0.188  0.00  0.00    +0.125 C 
ENDBRANCH   1  17
BRANCH   5  19
ATOM     19  C   LIG    1        3.956   0.087   0.990  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        4.526   0.024  -0.289  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        5.846  -0.405  -0.465  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        6.614  -0.770   0.637  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.067  -0.704   1.916  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.748  -0.277   2.090  0.00  0.00    +0.011 A 
ENDBRANCH   5  19
BRANCH   8  25
ATOM     25  C   LIG    1        1.231  -0.330  -0.746  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1        0.802   0.338  -1.900  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        0.663  -0.356  -3.103  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        0.951  -1.719  -3.160  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.376  -2.391  -2.015  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        1.515  -1.700  -0.810  0.00  0.00    +0.008 A 
ENDBRANCH   8  25
TORSDOF 3