REMARK  Name = BDB051758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.298  -3.055  -1.442  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.306  -4.178  -1.762  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.128  -3.894  -1.327  0.00  0.00    +0.263 C 
BRANCH   3   4
ATOM      4  O   LIG    1        1.561  -2.671  -1.915  0.00  0.00    -0.394 OA
BRANCH   4   7
ATOM      5  C   LIG    1        2.268  -0.291  -2.808  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        2.679  -0.799  -1.440  0.00  0.00    +0.084 C 
ATOM      7  N   LIG    1        2.358  -1.980  -0.994  0.00  0.00    -0.089 NA
BRANCH   6   8
ATOM      8  C   LIG    1        3.497   0.092  -0.573  0.00  0.00    -0.000 A 
ATOM      9  C   LIG    1        3.262   1.470  -0.531  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        4.021   2.300   0.309  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        5.041   1.734   1.110  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        5.802   2.571   1.942  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.558   3.945   1.988  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.547   4.499   1.207  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.263   0.349   1.064  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.781   3.681   0.374  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        4.489  -0.468   0.237  0.00  0.00    +0.010 A 
ENDBRANCH   6   8
ENDBRANCH   4   7
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.351  -2.686   0.037  0.00  0.00    +0.263 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.476  -1.840   0.292  0.00  0.00    -0.394 OA
BRANCH  19  20
ATOM     20  N   LIG    1       -2.155  -0.511  -0.022  0.00  0.00    -0.089 NA
ATOM     21  C   LIG    1       -3.142   0.297   0.245  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.481  -0.103   0.737  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1       -5.282  -0.939  -0.046  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -6.555  -1.291   0.403  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -7.023  -0.807   1.627  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.220   0.026   2.406  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.945   0.383   1.963  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -2.917   1.781  -0.006  0.00  0.00    +0.070 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.631   2.251   0.665  0.00  0.00    +0.127 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.472   2.275  -0.299  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1        0.130   3.295  -0.607  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -0.127   1.067  -0.788  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -0.697   0.323  -0.470  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 13