REMARK  Name = BDB006182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.233   0.550  -0.504  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.978   1.268   0.561  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -1.146   1.651   1.650  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -1.450   2.163   2.714  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.178   1.217   1.256  0.00  0.00    +0.154 A 
ATOM      6  N   LIG    1        1.400   1.327   1.761  0.00  0.00    -0.161 NA
ATOM      7  N   LIG    1        2.160   0.604   0.884  0.00  0.00    -0.234 N 
ATOM      8  C   LIG    1        1.458   0.282  -0.289  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        0.149   0.574   0.027  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.839  -1.633   1.699  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.831  -1.901   0.217  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.559  -0.914  -0.763  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.574  -1.309  -2.125  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.847  -2.622  -2.510  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.111  -3.576  -1.540  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.449  -5.197  -2.003  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.104  -3.224  -0.193  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.315   1.734   0.368  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.779   2.938   0.929  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -2.931   3.766   1.557  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.098   3.364   0.743  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.645   4.852   1.421  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.982   2.606  -0.019  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.536   1.429  -0.610  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.215   1.003  -0.426  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   7  26
ATOM     26  C   LIG    1        3.507   0.366   1.207  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1        3.966  -0.921   1.496  0.00  0.00    +0.066 A 
ATOM     28 CL   LIG    1        2.917  -2.289   1.627  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        5.316  -1.109   1.810  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        6.186  -0.016   1.865  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.707   1.273   1.634  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.363   1.471   1.319  0.00  0.00    +0.029 A 
ENDBRANCH   7  26
BRANCH   8  33
ATOM     33  C   LIG    1        2.022  -0.180  -1.607  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1        2.310  -1.674  -1.672  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1        3.222   0.640  -2.078  0.00  0.00    +0.014 C 
ENDBRANCH   8  33
TORSDOF 4