REMARK  Name = BDB062229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.887   3.582   0.974  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.656   2.392   0.916  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -2.609   1.258   0.767  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.926   1.457   0.629  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -1.912   0.069   0.785  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.662   0.417   0.898  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -0.461   1.756   0.981  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        0.415   2.219   1.145  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -4.958   0.423   0.462  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -6.070   0.715  -0.346  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -7.056  -0.242  -0.474  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -8.187  -0.121  -1.220  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -8.811  -1.398  -0.973  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -8.053  -2.247  -0.087  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -6.981  -1.453   0.171  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -5.917  -1.772   0.983  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -4.901  -0.820   1.131  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        0.357  -0.479   0.982  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        0.042  -1.444   1.006  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.687  -0.345   0.546  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        2.115   0.640  -0.348  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        3.465   0.747  -0.712  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        4.430  -0.126  -0.190  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        3.998  -1.112   0.708  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.650  -1.218   1.070  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.846  -0.013  -0.574  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        6.551  -1.119  -1.076  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        7.896  -1.012  -1.442  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.560   0.205  -1.309  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.880   1.314  -0.813  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.535   1.206  -0.449  0.00  0.00    +0.008 A 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4