REMARK  Name = BDB060779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.485   0.779  -0.637  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -3.765   0.391  -0.552  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -4.726   1.226  -1.032  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1       -4.435   2.455  -1.584  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -3.097   2.766  -1.621  0.00  0.00    +0.135 A 
ATOM      6  N   LIG    1       -2.121   1.956  -1.161  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -6.096   0.708  -0.928  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -6.649  -0.105   0.113  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -7.970  -0.327  -0.260  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -8.867  -1.081   0.503  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -8.386  -1.627   1.698  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -7.068  -1.422   2.104  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -8.120   0.329  -1.448  0.00  0.00    -0.276 N 
ATOM     14  H   LIG    1       -8.957   0.389  -2.017  0.00  0.00    +0.189 HD
ATOM     15  C   LIG    1       -6.188  -0.663   1.323  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -7.014   0.954  -1.879  0.00  0.00    -0.171 NA
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  N   LIG    1       -1.561  -0.132  -0.139  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -2.046  -0.962   0.168  0.00  0.00    +0.155 HD
BRANCH  17  22
ATOM     19  C   LIG    1        2.694  -0.301   0.242  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        1.852  -1.347   0.642  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.457  -1.273   0.507  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -0.168  -0.147  -0.039  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        0.659   0.899  -0.440  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        2.057   0.820  -0.306  0.00  0.00    +0.025 A 
BRANCH  19  30
ATOM     25  C   LIG    1        9.230  -0.534  -0.228  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        8.326  -0.716   0.965  0.00  0.00    +0.213 C 
ATOM     27  N   LIG    1        6.975  -0.497   0.767  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1        6.044  -0.717   1.875  0.00  0.00    +0.126 C 
ATOM     29  C   LIG    1        4.674  -1.243   1.409  0.00  0.00    +0.124 C 
ATOM     30  N   LIG    1        4.072  -0.385   0.370  0.00  0.00    -0.327 N 
ATOM     31  C   LIG    1        4.969   0.537  -0.342  0.00  0.00    +0.124 C 
ATOM     32  C   LIG    1        6.380  -0.061  -0.500  0.00  0.00    +0.126 C 
ATOM     33  O   LIG    1        8.794  -1.039   2.057  0.00  0.00    -0.276 OA
ENDBRANCH  19  30
ENDBRANCH  17  22
ENDBRANCH   1  17
BRANCH   4  34
ATOM     34  C   LIG    1       -5.394   3.398  -2.057  0.00  0.00    +0.103 C 
ATOM     35  N   LIG    1       -6.112   4.229  -2.434  0.00  0.00    -0.191 NA
ENDBRANCH   4  34
TORSDOF 5