REMARK  Name = BDB007626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.596  -0.680  -1.000  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        0.960   0.416   1.568  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        1.949   0.111   0.912  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1        1.879  -0.502  -0.324  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        2.701  -0.471  -0.914  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.314   0.421   1.421  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        4.438  -0.319   1.030  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        5.716   0.006   1.514  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1        5.842   1.062   2.429  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        4.723   1.789   2.837  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.461   1.468   2.336  0.00  0.00    +0.013 A 
BRANCH   8  12
ATOM     12  C   LIG    1        6.928  -0.799   1.124  0.00  0.00    +0.191 C 
BRANCH  12  13
ATOM     13  O   LIG    1        6.784  -1.310  -0.196  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1        7.608  -1.785  -0.399  0.00  0.00    +0.210 HD
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.272  -1.761  -0.333  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1        0.480  -2.987  -0.279  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1        1.315  -2.746   0.164  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.576  -2.027  -1.113  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.438  -0.853  -1.346  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.911  -0.269  -0.072  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -3.963   0.809  -0.244  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.706   0.916  -1.432  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.692   1.904  -1.551  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.958   2.766  -0.487  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.236   2.652   0.698  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.394   0.011  -2.595  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -4.245   1.678   0.821  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.597  -1.230  -2.173  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 8