REMARK  Name = BDB059512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.517   0.501   0.751  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.691   0.056  -0.323  0.00  0.00    +0.279 C 
ATOM      3  N   LIG    1       -0.893   0.124   0.805  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1       -1.340   0.136   1.710  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -1.202   0.189  -1.444  0.00  0.00    -0.267 OA
BRANCH   2  12
ATOM      6  C   LIG    1       -7.946   0.895   0.710  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -7.645  -0.535   0.651  0.00  0.00    -0.301 NA
ATOM      8  C   LIG    1       -6.437  -0.877   1.444  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -5.190  -0.585   0.680  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.182  -0.441  -0.685  0.00  0.00    +0.112 A 
ATOM     11  O   LIG    1       -3.945  -0.196  -1.162  0.00  0.00    -0.455 OA
ATOM     12  C   LIG    1       -3.101  -0.184  -0.075  0.00  0.00    +0.190 A 
ATOM     13  C   LIG    1       -6.354  -0.488  -1.580  0.00  0.00    +0.090 C 
ATOM     14  C   LIG    1       -3.841  -0.424   1.079  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1       -7.553  -1.023  -0.752  0.00  0.00    +0.092 C 
ENDBRANCH   2  12
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        1.409  -0.548   0.055  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.386  -0.410  -1.370  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.454  -0.230  -1.627  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        2.874  -0.493   0.559  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.484   0.854   0.648  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        4.806   0.797   1.305  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        5.938   0.285   0.439  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.854   0.335  -0.965  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.929  -0.114  -1.743  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        8.091  -0.587  -1.134  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        8.185  -0.619   0.255  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.586   0.810  -1.634  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        7.117  -0.183   1.038  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.638   1.523  -0.658  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6