REMARK  Name = BDB017643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.060  -0.218  -2.460  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.247  -0.132  -1.699  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.540   0.991  -0.913  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.752   1.071  -0.221  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.698   0.037  -0.281  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.956   0.178   0.492  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.867  -0.877   0.519  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.426  -1.787   0.423  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.973  -0.880   1.470  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.557   0.523   1.573  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.469   1.538   1.937  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.194   1.321   1.166  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -4.193   2.422   1.205  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -4.394   3.460   1.828  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.408  -1.070  -1.092  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.025   2.219   0.528  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.357   2.976   0.567  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -2.197  -1.156  -1.789  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        3.767  -0.344  -0.154  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1        3.620   0.512  -1.366  0.00  0.00    +0.124 C 
ATOM     21  C   LIG    1        2.507  -0.018  -2.324  0.00  0.00    +0.075 C 
ATOM     22  N   LIG    1        1.227  -0.075  -1.581  0.00  0.00    -0.289 NA
ATOM     23  C   LIG    1        1.471  -1.247  -0.704  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1        2.103  -2.297  -1.628  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        2.788  -1.474  -2.719  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        2.473  -0.816   0.410  0.00  0.00    +0.124 C 
BRANCH  19  31
ATOM     27  C   LIG    1        6.958   0.624   2.485  0.00  0.00    +0.087 A 
ATOM     28  C   LIG    1        5.706   0.291   2.982  0.00  0.00    +0.142 A 
ATOM     29  F   LIG    1        5.486   0.266   4.305  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        4.649  -0.028   2.125  0.00  0.00    +0.062 A 
ATOM     31  C   LIG    1        4.802  -0.010   0.730  0.00  0.00    +0.033 A 
ATOM     32  C   LIG    1        6.086   0.312   0.248  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1        7.149   0.630   1.105  0.00  0.00    +0.023 A 
BRANCH  27  35
ATOM     34  N   LIG    1        8.925   1.211   4.063  0.00  0.00    -0.191 NA
ATOM     35  C   LIG    1        8.032   0.945   3.371  0.00  0.00    +0.102 C 
ENDBRANCH  27  35
ENDBRANCH  19  31
ENDBRANCH   1  22
TORSDOF 4