REMARK  Name = BDB060672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.048   1.586   0.079  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -1.453   1.453   0.278  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -1.904   2.688   0.723  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1       -3.233   2.934   1.028  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.088   1.843   0.854  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -3.585   0.617   0.402  0.00  0.00    +0.075 A 
ATOM      7  O   LIG    1       -0.875   3.571   0.803  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1       -2.280   0.390   0.107  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1        0.241   2.900   0.407  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.233  -0.235  -0.419  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        2.278   0.688   0.037  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        0.941   0.625  -0.390  0.00  0.00    -0.012 A 
ATOM     13  C   LIG    1        0.568  -0.390  -1.280  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        1.507  -1.315  -1.739  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.833  -1.236  -1.312  0.00  0.00    +0.008 A 
BRANCH  10  20
ATOM     16  C   LIG    1        8.190  -0.480  -0.224  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1        6.802  -0.260   0.104  0.00  0.00    -0.274 N 
ATOM     18  N   LIG    1        6.480   0.259   1.302  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        5.146   0.325   1.263  0.00  0.00    +0.142 A 
ATOM     20  C   LIG    1        4.608  -0.148   0.043  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.720  -0.518  -0.686  0.00  0.00    +0.116 A 
ENDBRANCH  10  20
ENDBRANCH   1  12
BRANCH   6  22
ATOM     22  C   LIG    1       -4.446  -0.541   0.208  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -5.820  -0.593   0.343  0.00  0.00    +0.118 A 
ATOM     24  N   LIG    1       -6.185  -1.879   0.058  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1       -7.521  -2.425   0.065  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1       -5.150  -2.674  -0.256  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1       -4.094  -1.861  -0.164  0.00  0.00    +0.144 A 
ENDBRANCH   6  22
TORSDOF 3