REMARK  Name = BDB025093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.253  -0.780   0.784  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        5.023  -1.406   0.506  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.096  -2.876   0.408  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.300  -3.507   1.796  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.904  -3.495  -0.316  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.614  -3.060   0.344  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.548  -1.561   0.385  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.287  -0.920   0.369  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.038  -1.487   0.362  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.826  -0.491   0.339  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.165   0.728   0.328  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        1.194   0.463   0.342  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        2.330   1.269   0.313  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.578   0.627   0.349  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.725  -0.767   0.435  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        7.338  -1.347   0.654  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -0.744   2.075   0.285  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.475   2.344  -1.042  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.509   3.474  -0.992  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.287   4.458   0.152  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.133   3.830   1.535  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.521   2.430   1.557  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.907   2.896  -1.046  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.646   2.930  -2.018  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.239   2.207   0.057  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.947   1.582  -0.235  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.414   1.080   1.627  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.162   0.482   1.287  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.308  -0.699   0.340  0.00  0.00    +0.077 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.794  -1.386  -0.937  0.00  0.00    +0.039 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.317  -1.524  -0.957  0.00  0.00    +0.119 C 
ATOM     32  O   LIG    1       -4.957  -0.226  -0.977  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -5.987  -0.252  -1.984  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -6.208  -1.704  -2.344  0.00  0.00    +0.031 C 
ATOM     35  C   LIG    1       -4.820  -2.269  -2.185  0.00  0.00    +0.034 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7