REMARK  Name = BDB039004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.642   2.382   0.838  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.623   2.104  -0.056  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.695   1.001   0.181  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.516   0.956  -0.757  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.356   1.892  -1.805  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.242   1.835  -2.652  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.265   0.845  -2.510  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.438  -0.083  -1.478  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.305  -1.159  -1.036  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.374  -1.745   0.016  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.474  -1.070   0.286  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.371   2.996  -1.975  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.531  -0.044  -0.621  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.734   2.594  -1.421  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.561   3.161   0.613  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.065  -2.983   0.757  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        0.988  -4.103   0.619  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        1.931  -4.166   1.816  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        1.179  -4.419   3.123  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.244  -3.859   3.128  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.373  -2.637   2.228  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        6.542   1.951   2.958  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        5.514   1.690   2.004  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.561  -1.608  -1.613  0.00  0.00    +0.124 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.793  -1.276  -0.762  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.116   0.227  -0.634  0.00  0.00    -0.009 C 
ATOM     27  C   LIG    1       -4.159   0.441   0.475  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -4.546   1.912   0.630  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -4.972   2.576  -0.685  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1       -3.970   2.303  -1.809  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -3.633   0.819  -1.952  0.00  0.00    +0.004 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -6.375   2.175  -1.095  0.00  0.00    +0.308 C 
ATOM     33  O   LIG    1       -7.046   1.259  -0.651  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -6.876   2.975  -2.058  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -7.777   2.622  -2.215  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7