REMARK  Name = BDB024712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.005  -2.988   0.375  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.727  -1.639   0.659  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.846  -0.674   0.692  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.135  -0.119  -0.709  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        5.628   0.421   1.731  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        4.353   1.179   1.444  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        3.200   0.242   1.226  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.882   0.734   1.379  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        1.467   1.999   1.723  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.147   1.966   1.741  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.305   0.706   1.408  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.791  -0.096   1.177  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.933  -1.431   0.813  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.242  -1.911   0.650  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.386  -1.116   0.847  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.212  -3.922   0.385  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.670  -4.546  -0.222  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.326  -3.192   0.073  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.687   0.266   1.318  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.199   0.256  -0.130  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.635  -0.067  -0.225  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -4.158   0.186  -1.589  0.00  0.00    +0.115 C 
ATOM     23  C   LIG    1       -4.238  -1.086  -2.458  0.00  0.00    +0.130 C 
ATOM     24  C   LIG    1       -4.764  -0.770  -3.852  0.00  0.00    +0.039 C 
ATOM     25  O   LIG    1       -5.097  -2.090  -1.891  0.00  0.00    -0.371 OA
ATOM     26  C   LIG    1       -5.206  -2.011  -0.459  0.00  0.00    +0.130 C 
ATOM     27  C   LIG    1       -5.526  -3.411   0.049  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1       -3.918  -1.461   0.190  0.00  0.00    +0.115 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  29
ATOM     29  C   LIG    1       -0.729   3.135   2.080  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.443   3.729   0.886  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -2.842   3.824   0.864  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.497   4.367  -0.243  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.762   4.831  -1.332  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.371   4.754  -1.316  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -0.714   4.210  -0.212  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6