REMARK  Name = BDB059753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.102   1.294   1.729  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.747  -0.185   1.032  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1        2.718  -0.537   0.153  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        1.414  -0.064   0.343  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        1.122   0.764   1.426  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.142   1.109   2.316  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.443   0.635   2.124  0.00  0.00    +0.033 A 
BRANCH   2   9
ATOM      8  N   LIG    1        5.872   0.216   0.695  0.00  0.00    -0.149 NA
ATOM      9  N   LIG    1        5.036  -0.706   0.822  0.00  0.00    -0.149 NA
BRANCH   8  13
ATOM     10  C   LIG    1        9.769  -1.254  -0.025  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        9.080  -1.654   1.119  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        7.786  -1.177   1.362  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        7.160  -0.303   0.464  0.00  0.00    +0.086 A 
ATOM     14  C   LIG    1        7.862   0.104  -0.673  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        9.155  -0.370  -0.917  0.00  0.00    +0.048 A 
BRANCH  10  17
ATOM     16  C   LIG    1       11.689  -2.561   0.478  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       11.030  -1.641  -0.383  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -1.183   0.976   0.850  0.00  0.00    +0.233 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.438   1.672   1.374  0.00  0.00    +0.076 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.641   1.394   0.512  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1       -3.959   2.234  -0.559  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -5.058   1.950  -1.373  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -5.861   0.831  -1.134  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -5.535  -0.017  -0.079  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.434   0.264   0.740  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -6.892   0.686  -2.014  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -8.033  -0.135  -1.733  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -8.745   0.350  -0.458  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -8.966   0.128  -2.931  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -7.766  -1.663  -1.738  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -6.721  -2.189  -2.094  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -8.814  -2.427  -1.335  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -9.633  -1.949  -1.115  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11