REMARK  Name = BDB024730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.367  -0.830   0.868  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.400   0.175   1.014  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.913   1.513   1.344  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.115   2.359   0.083  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.039   2.188   2.396  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.614   2.326   1.904  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.104   1.062   1.267  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.713   0.907   1.062  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.300   1.769   1.397  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.420   1.200   0.997  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.163  -0.035   0.427  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.206  -0.223   0.435  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.044  -1.228  -0.046  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.423  -1.068   0.151  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.977   0.035   0.821  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.572  -0.599   0.775  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.160  -0.965  -0.095  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.157  -2.323   0.620  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.343  -3.194   0.188  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -3.772  -2.979  -1.275  0.00  0.00    +0.092 C 
ATOM     21  C   LIG    1       -2.609  -2.465  -2.128  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -2.093  -1.112  -1.628  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.327  -4.222  -1.841  0.00  0.00    +0.066 C 
ATOM     24  N   LIG    1       -4.765  -5.200  -2.285  0.00  0.00    -0.196 NA
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        5.871  -3.123   0.842  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        4.878  -2.100   0.920  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.778   1.825   1.145  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.438   2.198  -0.167  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -2.738   2.915  -1.150  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.356   3.257  -2.354  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.683   2.901  -2.583  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.397   2.209  -1.607  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.781   1.865  -0.402  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5