REMARK  Name = BDB062168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.246   0.152   0.073  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -2.908  -0.199  -0.024  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -1.924   0.451  -0.889  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.768  -0.483  -1.240  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1        0.004  -1.001   0.025  0.00  0.00    +0.059 C 
ATOM      6  C   LIG    1       -1.003  -1.093   1.221  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1       -2.436  -1.341   0.758  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -5.066  -0.506   0.710  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        0.500  -2.414  -0.249  0.00  0.00    +0.159 A 
ATOM     10  N   LIG    1        1.688  -2.922   0.208  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1        2.422  -2.478   0.748  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1        1.821  -4.197  -0.173  0.00  0.00    -0.047 NA
ATOM     13  N   LIG    1        0.716  -4.474  -0.848  0.00  0.00    -0.023 NA
ATOM     14  N   LIG    1       -0.116  -3.384  -0.898  0.00  0.00    -0.113 NA
ENDBRANCH   5   9
BRANCH   5  15
ATOM     15  C   LIG    1        1.224  -0.088   0.339  0.00  0.00    -0.033 A 
ATOM     16  C   LIG    1        1.542   0.335   1.640  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.679   1.112   1.893  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.544   1.476   0.863  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.269   1.042  -0.428  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.131   0.264  -0.683  0.00  0.00    +0.008 A 
BRANCH  18  21
ATOM     21  O   LIG    1        4.614   2.232   1.251  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1        5.502   2.665   0.228  0.00  0.00    +0.277 C 
ENDBRANCH  18  21
ENDBRANCH   5  15
BRANCH   1  24
ATOM     23  C   LIG    1       -5.963   1.649  -0.846  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -4.666   1.405  -0.616  0.00  0.00    +0.060 C 
ENDBRANCH   1  24
TORSDOF 4