REMARK  Name = BDB024598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.508  -0.236  -0.679  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.519   0.585  -0.120  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.977   1.892   0.373  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.805   2.981  -0.691  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.317   2.234   1.705  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.810   2.273   1.567  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.278   1.097   0.795  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.895   0.801   0.860  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.083   1.442   1.576  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.212   0.817   1.306  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.988  -0.243   0.445  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.356  -0.246   0.126  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.141  -1.023  -0.725  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.510  -0.723  -0.793  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.107   0.297  -0.034  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.633   0.165  -0.972  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.996  -1.180  -0.047  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -1.725  -2.630   0.379  0.00  0.00    +0.043 C 
ATOM     19  C   LIG    1       -2.839  -3.572  -0.112  0.00  0.00    +0.052 C 
ATOM     20  C   LIG    1       -4.013  -3.610   0.871  0.00  0.00    +0.024 C 
ATOM     21  N   LIG    1       -3.339  -3.255  -1.457  0.00  0.00    -0.313 NA
ATOM     22  H   LIG    1       -4.260  -2.817  -1.409  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -2.436  -2.409  -2.227  0.00  0.00    +0.083 C 
ATOM     24  C   LIG    1       -2.248  -1.050  -1.560  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.188  -2.396  -1.302  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.156  -1.548  -0.798  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.548   1.218   1.861  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.508   1.772   0.827  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -3.103   2.771  -0.072  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.995   3.279  -1.018  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.305   2.806  -1.067  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.726   1.829  -0.166  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.835   1.319   0.780  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 4