REMARK  Name = BDB039432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.132  -0.665   0.063  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.844   0.540   0.680  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.594   1.277   1.286  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.424   0.814   0.434  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.924  -0.190  -0.389  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        0.597  -0.171  -0.791  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.246   0.874  -0.352  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.309   1.885   0.479  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.649   1.863   0.880  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.011  -1.152  -0.730  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.671   0.940  -0.750  0.00  0.00    +0.074 A 
ATOM     12  N   LIG    1       -2.135   2.186  -1.002  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -3.421   2.226  -1.384  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1       -4.303   1.161  -1.518  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -5.539   1.718  -1.959  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1       -5.374   3.082  -2.071  0.00  0.00    +0.085 A 
ATOM     17  C   LIG    1       -3.828  -0.131  -1.213  0.00  0.00    -0.021 A 
ATOM     18  N   LIG    1       -4.083   3.375  -1.718  0.00  0.00    -0.346 N 
ATOM     19  H   LIG    1       -3.655   4.290  -1.706  0.00  0.00    +0.167 HD
ATOM     20  C   LIG    1       -2.467  -0.208  -0.844  0.00  0.00    +0.034 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.665  -1.387  -1.313  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.372  -1.889  -0.132  0.00  0.00    -0.293 NA
ATOM     23  C   LIG    1       -6.213  -0.900   0.565  0.00  0.00    +0.117 C 
ATOM     24  C   LIG    1       -5.762  -1.542   1.905  0.00  0.00    +0.142 C 
ATOM     25  C   LIG    1       -4.554  -2.064   1.081  0.00  0.00    +0.117 C 
BRANCH  24  26
ATOM     26  O   LIG    1       -5.471  -0.646   3.000  0.00  0.00    -0.389 OA
ATOM     27  H   LIG    1       -4.915   0.055   2.618  0.00  0.00    +0.210 HD
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   7  11
BRANCH   1  34
ATOM     28  O   LIG    1        8.861   0.847   1.131  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1        7.845   0.234   0.812  0.00  0.00    +0.219 C 
ATOM     30  N   LIG    1        7.427   0.213  -0.492  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1        7.967   0.785  -1.127  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1        6.312  -0.381  -1.023  0.00  0.00    +0.240 C 
ATOM     33  O   LIG    1        5.996  -0.186  -2.198  0.00  0.00    -0.273 OA
ATOM     34  C   LIG    1        5.464  -1.241  -0.086  0.00  0.00    +0.163 C 
ATOM     35  C   LIG    1        6.175  -1.614   1.213  0.00  0.00    +0.041 C 
ATOM     36  C   LIG    1        7.001  -0.497   1.825  0.00  0.00    +0.098 C 
ENDBRANCH   1  34
TORSDOF 5