REMARK  Name = BDB062136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.499  -0.602  -1.776  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.876  -0.397  -1.826  0.00  0.00    +0.076 A 
ATOM      3  N   LIG    1       -1.226  -0.889  -3.068  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -2.555  -0.993  -3.622  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -0.092  -1.327  -3.692  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        0.967  -1.171  -2.935  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        1.524  -2.774  -0.106  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.833  -1.328   0.181  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        1.366  -0.286  -0.651  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.739   1.050  -0.383  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1        1.305   2.197  -1.256  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.523   1.331   0.750  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.973   0.309   1.595  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        2.630  -1.015   1.294  0.00  0.00    +0.009 A 
BRANCH  13  15
ATOM     15  C   LIG    1        3.817   0.624   2.804  0.00  0.00    +0.113 C 
BRANCH  15  16
ATOM     16  N   LIG    1        5.146   0.034   2.696  0.00  0.00    -0.326 NA
ATOM     17  H   LIG    1        5.729   0.381   3.455  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1        5.577   0.355   1.829  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.805   0.156  -0.845  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -1.916  -0.421   0.426  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.783   0.112   1.399  0.00  0.00    +0.073 A 
ATOM     22  C   LIG    1       -3.549   1.246   1.079  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1       -3.439   1.826  -0.193  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.572   1.285  -1.145  0.00  0.00    +0.011 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -2.875  -0.528   2.762  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1       -2.079  -1.625   2.901  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.515   0.320   3.762  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.135  -0.952   3.050  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
BRANCH  22  29
ATOM     29  C   LIG    1       -4.450   1.840   2.027  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1       -5.183   2.326   2.783  0.00  0.00    -0.191 NA
ENDBRANCH  22  29
ENDBRANCH   2  19
TORSDOF 6