REMARK  Name = BDB024828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.040  -4.254  -0.807  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -2.661  -3.098  -0.295  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.069  -2.793  -0.654  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.043  -3.815  -0.042  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.549  -1.401  -0.218  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -3.485  -0.366  -0.495  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.278  -0.740   0.308  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.484   0.237   0.943  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -1.649   1.601   0.985  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.628   2.076   1.670  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1        0.191   1.049   2.086  0.00  0.00    -0.319 N 
ATOM     12  C   LIG    1       -0.349  -0.139   1.648  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        0.039  -1.471   1.787  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -0.756  -2.432   1.150  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -1.890  -2.097   0.395  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -0.876  -4.595  -0.620  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -2.261  -6.134  -2.194  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -2.870  -4.978  -1.618  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1        1.421   1.188   2.845  0.00  0.00    +0.219 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.596   1.589   1.977  0.00  0.00    +0.233 C 
ATOM     21  N   LIG    1        2.849   0.770   0.897  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        2.200   0.018   0.683  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        3.304   2.551   2.267  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.909   1.066  -0.063  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1        5.299   0.740   0.501  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1        5.789  -0.602  -0.017  0.00  0.00    +0.161 C 
ATOM     27  O   LIG    1        5.901  -0.633  -1.443  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        4.947   0.159  -2.149  0.00  0.00    +0.161 C 
ATOM     29  C   LIG    1        3.647   0.332  -1.385  0.00  0.00    +0.050 C 
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  30
ATOM     30  C   LIG    1       -0.381   3.518   1.993  0.00  0.00    +0.097 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.235   4.470   1.163  0.00  0.00    +0.151 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -0.741   4.622  -0.193  0.00  0.00    -0.271 N 
ATOM     33  N   LIG    1        0.329   5.408  -0.427  0.00  0.00    -0.180 NA
ATOM     34  C   LIG    1        0.483   5.342  -1.752  0.00  0.00    +0.134 A 
ATOM     35  C   LIG    1       -0.491   4.539  -2.367  0.00  0.00    +0.041 A 
ATOM     36  C   LIG    1       -1.264   4.077  -1.329  0.00  0.00    +0.108 A 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  10  30
TORSDOF 7