REMARK  Name = BDB024729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.284  -1.007  -0.134  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.388  -0.167   0.553  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.932   0.964   1.333  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.116   2.203   0.448  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.107   1.246   2.584  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.676   1.562   2.216  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.114   0.531   1.280  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.708   0.401   1.172  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.268   1.109   1.827  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.422   0.640   1.393  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.220  -0.383   0.482  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.143  -0.531   0.314  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.930  -1.360  -0.481  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.323  -1.219  -0.381  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.945  -0.298   0.479  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.008  -2.025  -0.760  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.264  -1.128  -0.214  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.243  -2.641   0.076  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -2.882  -3.478  -1.042  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -4.022  -2.757  -1.773  0.00  0.00    +0.092 C 
ATOM     21  C   LIG    1       -3.543  -1.431  -2.393  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -2.305  -0.827  -1.717  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.163  -2.529  -0.862  0.00  0.00    +0.066 C 
ATOM     24  N   LIG    1       -6.038  -2.328  -0.127  0.00  0.00    -0.196 NA
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        7.537  -1.390  -0.712  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.580  -0.573  -0.036  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.763   1.160   1.831  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.527   1.885   0.743  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -2.936   2.939   0.030  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.644   3.600  -0.975  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.952   3.224  -1.272  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.557   2.190  -0.559  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.852   1.528   0.447  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5