REMARK  Name = BDB017644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.342  -1.503   1.736  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.002  -1.172   1.136  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.729  -0.060   1.579  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.977   0.236   1.022  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.549  -0.578   0.032  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.883  -0.215  -0.504  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.508  -1.060  -1.420  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.255  -2.037  -1.299  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.914  -0.877  -1.763  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.214   0.610  -1.899  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.813   1.363  -0.626  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.476   0.923  -0.089  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -4.851   1.791   0.944  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -5.390   2.820   1.340  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -2.812  -1.685  -0.411  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.652   1.382   1.452  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.245   1.986   2.153  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.560  -1.983   0.139  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        3.942   0.165  -0.010  0.00  0.00    -0.312 N 
ATOM     20  C   LIG    1        3.276   0.776   1.174  0.00  0.00    +0.125 C 
ATOM     21  C   LIG    1        1.735   0.517   1.167  0.00  0.00    +0.075 C 
ATOM     22  N   LIG    1        1.548  -0.942   1.145  0.00  0.00    -0.289 NA
ATOM     23  C   LIG    1        1.887  -1.286  -0.242  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1        1.226  -0.192  -1.091  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        1.129   1.012  -0.153  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        3.443  -1.187  -0.374  0.00  0.00    +0.125 C 
BRANCH  19  30
ATOM     27  C   LIG    1        8.079   0.798  -0.086  0.00  0.00    +0.070 A 
ATOM     28  C   LIG    1        7.255   1.276   0.913  0.00  0.00    +0.131 A 
ATOM     29  N   LIG    1        5.914   1.074   0.949  0.00  0.00    -0.239 NA
ATOM     30  C   LIG    1        5.329   0.353  -0.036  0.00  0.00    +0.121 A 
ATOM     31  C   LIG    1        6.105  -0.141  -1.088  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        7.487   0.076  -1.113  0.00  0.00    +0.024 A 
BRANCH  27  34
ATOM     33  N   LIG    1       10.626   1.253  -0.039  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        9.483   1.050  -0.060  0.00  0.00    +0.101 C 
ENDBRANCH  27  34
ENDBRANCH  19  30
ENDBRANCH   1  22
TORSDOF 4