REMARK  Name = BDB024511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.332  -2.083   0.288  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.801  -0.864  -0.170  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.695   0.299  -0.391  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.612   0.076  -1.608  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.976   1.641  -0.604  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.776   1.755   0.306  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.847   0.626  -0.030  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.448   0.806  -0.086  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.723   1.954   0.106  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.540   1.623  -0.059  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.665   0.271  -0.327  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.608  -0.265  -0.367  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.112  -1.545  -0.610  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.501  -1.718  -0.546  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.378  -0.664  -0.253  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.698  -3.100   0.551  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.923  -0.452  -0.509  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.152  -1.533   0.560  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.500  -2.229   0.371  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -3.658  -2.792  -1.044  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -3.441  -1.699  -2.100  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.089  -1.005  -1.932  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.034  -3.418  -1.196  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -5.988  -2.881  -1.736  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.118  -4.651  -0.646  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.291  -4.972  -0.241  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.276  -3.228   0.959  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.687  -2.024   0.467  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.674   2.592   0.045  0.00  0.00    +0.082 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.252   2.615   1.458  0.00  0.00    +0.084 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.477   3.441   1.522  0.00  0.00    +0.126 A 
ATOM     32  O   LIG    1       -4.641   2.866   1.093  0.00  0.00    -0.445 OA
ATOM     33  C   LIG    1       -5.577   3.850   1.265  0.00  0.00    +0.193 A 
ATOM     34  C   LIG    1       -6.962   3.514   0.880  0.00  0.00    +0.109 C 
ATOM     35  N   LIG    1       -5.102   4.976   1.756  0.00  0.00    -0.222 NA
ATOM     36  C   LIG    1       -3.765   4.723   1.924  0.00  0.00    +0.156 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7