REMARK  Name = BDB013069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.783  -0.416  -0.368  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.048  -0.059   0.801  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.322  -0.096   0.718  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.776   0.219   1.965  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.239   0.499   2.751  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.012  -0.436  -0.448  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.346  -0.780  -1.516  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.392   0.320   2.018  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.034  -0.754  -1.444  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.718  -2.860  -1.280  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        4.072  -1.491  -0.826  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.218  -0.432  -0.423  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.064   0.609  -0.077  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        3.780   1.986   0.407  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        5.337   0.108  -0.238  0.00  0.00    -0.266 N 
ATOM     16  N   LIG    1        5.358  -1.133  -0.757  0.00  0.00    -0.176 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.599   0.781   0.037  0.00  0.00    +0.171 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.935   0.803   1.525  0.00  0.00    +0.179 C 
BRANCH  18  19
ATOM     19  O   LIG    1        7.686  -0.349   1.897  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1        7.665  -0.410   2.868  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.390  -0.433  -0.479  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.676  -0.935  -1.321  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.095   0.846  -0.473  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.562   0.609  -0.704  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -5.388   0.074   0.280  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.066  -0.399   1.648  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.484  -0.559   2.198  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.402  -0.721   1.094  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.732  -0.173   0.032  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.314   0.093  -1.190  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -6.509   0.634  -2.191  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.147   0.888  -1.952  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7