REMARK  Name = BDB006139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.613   0.398  -0.459  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -2.008   1.810  -0.150  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.904   2.614   0.240  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.870   3.796   0.542  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.230   1.717   0.187  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.527   1.827   0.439  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        1.995   0.573   0.188  0.00  0.00    -0.266 N 
ATOM      8  C   LIG    1        1.005  -0.319  -0.215  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.146   0.442  -0.208  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.690  -2.306  -1.385  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.643  -1.903   0.067  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -2.169  -0.642   0.509  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -2.214  -0.364   1.897  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.714  -1.290   2.814  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.186  -2.514   2.364  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.810  -3.657   3.487  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.158  -2.819   1.006  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.359   2.272  -0.255  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -4.343   1.549  -0.951  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -4.019   0.429  -1.613  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.667   1.997  -1.024  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -6.849   1.088  -1.889  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -6.043   3.184  -0.407  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.087   3.925   0.279  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.762   3.473   0.352  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        1.173  -1.777  -0.542  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        1.411  -2.625   0.706  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        2.206  -2.049  -1.631  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.419   0.351   0.398  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.256   0.909  -0.763  0.00  0.00    +0.107 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.718   0.724  -0.690  0.00  0.00    -0.307 NA
ATOM     32  C   LIG    1        6.314   1.431   0.441  0.00  0.00    +0.104 C 
ATOM     33  C   LIG    1        6.122  -0.678  -0.709  0.00  0.00    +0.104 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 6