REMARK  Name = BDB027649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.290   0.837  -0.444  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.800   1.952  -1.133  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.185   2.107  -1.091  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.698   3.209  -1.759  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.978   4.136  -2.446  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.649   3.949  -2.480  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.994   1.253  -0.452  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.421   0.201   0.153  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.020   2.891  -1.851  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.097  -0.035   0.172  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.308  -0.746   0.857  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.699  -0.557   0.894  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        5.496  -1.469   1.569  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.017  -2.553   2.210  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.682  -2.732   2.169  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.807  -1.874   1.522  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.084   0.617  -0.436  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1       -1.587   1.462  -0.152  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.759  -0.565   0.213  0.00  0.00    +0.154 C 
ATOM     20  C   LIG    1       -1.503  -0.528   1.738  0.00  0.00    +0.044 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -1.333  -1.952  -0.355  0.00  0.00    +0.413 C 
ATOM     22  F   LIG    1       -0.092  -2.338   0.013  0.00  0.00    -0.168 F 
ATOM     23  F   LIG    1       -2.163  -2.932   0.089  0.00  0.00    -0.168 F 
ATOM     24  F   LIG    1       -1.379  -1.992  -1.707  0.00  0.00    -0.168 F 
ENDBRANCH  19  21
BRANCH  19  26
ATOM     25  C   LIG    1       -4.294  -1.134   0.777  0.00  0.00    +0.043 C 
ATOM     26  C   LIG    1       -3.318  -0.297  -0.065  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1       -3.700  -0.434  -1.549  0.00  0.00    +0.043 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -3.576   1.093   0.294  0.00  0.00    -0.387 OA
ATOM     29  H   LIG    1       -4.521   1.271   0.135  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6