REMARK  Name = BDB050257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.059  -0.515   1.169  0.00  0.00    +0.244 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.049  -1.155   2.021  0.00  0.00    +0.125 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.216  -0.486   1.245  0.00  0.00    -0.042 C 
ATOM      4  C   LIG    1       -3.245   0.629   0.953  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -1.880   0.423   1.639  0.00  0.00    +0.089 C 
ATOM      6  N   LIG    1       -1.407  -0.962   1.480  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1       -2.343  -1.890   2.140  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -3.785  -1.629   1.810  0.00  0.00    -0.008 C 
BRANCH   3  12
ATOM      9  C   LIG    1       -8.369   0.086   0.290  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1       -7.671  -1.027  -0.193  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.322  -1.211   0.122  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.641  -0.288   0.926  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -6.340   0.825   1.407  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -7.691   1.010   1.094  0.00  0.00    +0.004 A 
BRANCH   9  15
ATOM     15  C   LIG    1       -9.823   0.289  -0.055  0.00  0.00    +0.035 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -9.535   2.120  -1.806  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1      -10.058   0.722  -1.505  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   3  12
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        2.319  -0.852   1.760  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.442  -0.379   1.140  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        4.642  -0.715   1.771  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        5.866  -0.297   1.245  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        5.907   0.467   0.073  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        4.703   0.802  -0.557  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.478   0.382  -0.028  0.00  0.00    +0.046 A 
BRANCH  22  25
ATOM     25  C   LIG    1        7.228   0.906  -0.511  0.00  0.00    +0.078 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.971  -0.209  -1.260  0.00  0.00    +0.230 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.208  -0.625  -2.519  0.00  0.00    +0.334 C 
ATOM     28  O   LIG    1        6.915  -1.771  -2.828  0.00  0.00    -0.248 OA
BRANCH  27  29
ATOM     29  O   LIG    1        6.918   0.392  -3.356  0.00  0.00    -0.479 OA
ATOM     30  H   LIG    1        6.491  -0.047  -4.121  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
BRANCH  26  31
ATOM     31  O   LIG    1        9.291   0.271  -1.548  0.00  0.00    -0.365 OA
BRANCH  31  32
ATOM     32  C   LIG    1       10.170  -0.763  -1.990  0.00  0.00    +0.157 C 
ATOM     33  C   LIG    1       11.543  -0.157  -2.208  0.00  0.00    +0.034 C 
ENDBRANCH  31  32
ENDBRANCH  26  31
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 13