REMARK  Name = BDB060600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.675   1.778  -1.233  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        1.478   0.578  -2.166  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.642   1.194  -3.270  0.00  0.00    +0.177 C 
ATOM      4  C   LIG    1       -0.229   2.202  -2.526  0.00  0.00    +0.166 C 
ATOM      5  O   LIG    1        0.434   2.521  -1.279  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        3.475  -0.381   2.728  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        2.754   0.573   1.991  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1        2.003   1.665   2.374  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        1.576   2.188   1.244  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1        1.973   1.458   0.151  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1        2.753   0.429   0.613  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1        3.374  -0.527  -0.102  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1        4.021  -1.391   0.713  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        4.095  -1.379   2.059  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1        3.564  -0.363   4.112  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        2.847   0.194   4.562  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        3.779  -1.271   4.503  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        2.692   0.052  -2.714  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1        3.181  -0.328  -1.952  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        1.521   1.889  -4.174  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        2.275   1.276  -4.306  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -1.672   1.714  -2.281  0.00  0.00    +0.118 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -1.800   0.416  -1.594  0.00  0.00    -0.299 NA
ATOM     24  C   LIG    1       -1.726   0.523  -0.131  0.00  0.00    +0.091 C 
ATOM     25  C   LIG    1       -2.245  -0.845   0.344  0.00  0.00    -0.013 C 
ATOM     26  C   LIG    1       -1.172  -1.957   0.169  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -0.367  -2.154   1.452  0.00  0.00    +0.081 C 
ATOM     28  N   LIG    1       -1.204  -2.617   2.560  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1       -0.757  -2.359   3.440  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -2.575  -2.111   2.522  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1       -2.698  -0.763   1.818  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1       -3.412  -1.078  -0.635  0.00  0.00    +0.023 C 
ATOM     33  C   LIG    1       -3.111  -0.200  -1.851  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6