REMARK  Name = BDB012528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.728  -0.451  -0.123  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.575   0.199   0.598  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1        0.557  -0.396  -0.147  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        0.160  -1.229  -1.145  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        1.300  -1.746  -1.759  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.398  -1.222  -1.073  0.00  0.00    +0.055 A 
ATOM      7  N   LIG    1        1.917  -0.357  -0.090  0.00  0.00    -0.344 N 
ATOM      8  C   LIG    1        2.683   0.464   0.823  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1       -1.276  -1.291  -1.186  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -1.903  -1.969  -1.982  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -6.581  -1.119  -1.057  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -5.444  -0.640  -0.212  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -5.798   0.023   1.079  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.975   0.137   1.414  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.722   0.483   1.832  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -4.979   1.148   3.100  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -3.406   0.319   1.428  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -3.060  -0.287   0.275  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -4.152  -0.767  -0.559  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   6  20
ATOM     20  C   LIG    1        3.794  -1.452  -1.249  0.00  0.00    +0.063 A 
ATOM     21  C   LIG    1        4.675  -1.961  -0.125  0.00  0.00    +0.260 A 
ATOM     22  O   LIG    1        4.216  -2.143   1.002  0.00  0.00    -0.267 OA
ATOM     23  N   LIG    1        6.018  -2.183  -0.453  0.00  0.00    -0.318 N 
ATOM     24  C   LIG    1        6.928  -2.678   0.569  0.00  0.00    +0.152 C 
ATOM     25  C   LIG    1        6.518  -1.961  -1.723  0.00  0.00    +0.089 A 
ATOM     26  C   LIG    1        5.734  -1.518  -2.710  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        4.338  -1.267  -2.465  0.00  0.00    +0.017 A 
ENDBRANCH   6  20
BRANCH   2  28
ATOM     28  C   LIG    1       -0.596   1.718   0.532  0.00  0.00    -0.021 A 
ATOM     29  C   LIG    1       -0.358   2.471   1.696  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -0.366   3.868   1.656  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -0.608   4.526   0.452  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -0.615   6.245   0.405  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -0.840   3.799  -0.712  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -0.832   2.403  -0.674  0.00  0.00    +0.007 A 
ENDBRANCH   2  28
TORSDOF 3