REMARK  Name = BDB024595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.497   0.134  -0.608  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.378   0.946  -0.353  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.656   2.327   0.096  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.216   3.188  -1.048  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.451   3.068   0.698  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.595   2.124   1.514  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.116   1.043   0.589  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.793   0.558   0.625  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.240   0.939   1.436  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.287   0.214   1.086  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.947  -0.667   0.072  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.385  -0.445  -0.244  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.259  -1.006  -1.181  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.575  -0.526  -1.205  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.025   0.470  -0.328  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.651   0.555  -0.628  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.772  -1.696  -0.560  0.00  0.00    +0.094 C 
ATOM     18  C   LIG    1       -2.116  -2.871   0.392  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1       -1.124  -4.026   0.205  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -3.566  -3.339   0.185  0.00  0.00    +0.086 C 
ATOM     21  N   LIG    1       -3.922  -3.493  -1.220  0.00  0.00    -0.316 NA
ATOM     22  H   LIG    1       -3.417  -4.278  -1.632  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.714  -2.286  -2.022  0.00  0.00    +0.083 C 
ATOM     24  C   LIG    1       -3.002  -1.148  -1.289  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.353  -2.026  -0.959  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.212  -1.192  -0.763  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.629   0.343   1.750  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.531   1.419   1.175  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -3.030   2.661   0.756  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.887   3.646   0.259  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.258   3.409   0.190  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.774   2.191   0.625  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.918   1.206   1.122  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 4