REMARK  Name = BDB012165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.408  -0.160  -2.696  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.297   0.156  -1.511  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.544   1.449  -1.064  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        0.426   1.864   0.333  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        1.069   3.227   0.597  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        2.355   3.416  -0.220  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        2.088   3.260  -1.729  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        0.795   2.504  -2.037  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.430   2.498   0.268  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        3.482   1.229  -0.244  0.00  0.00    -0.419 OA
ATOM     11  C   LIG    1        4.539   0.683   0.443  0.00  0.00    +0.268 A 
ATOM     12  N   LIG    1        5.069   1.540   1.295  0.00  0.00    -0.106 NA
ATOM     13  N   LIG    1        4.350   2.715   1.181  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        4.870  -0.702   0.146  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1        5.867  -1.259   0.886  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1        6.161  -2.550   0.612  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        5.492  -3.275  -0.357  0.00  0.00    +0.130 A 
ATOM     18  N   LIG    1        4.497  -2.740  -1.099  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1        4.207  -1.440  -0.830  0.00  0.00    +0.144 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1       -0.056  -0.879  -0.449  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.604  -2.184  -1.037  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.989  -2.030  -1.674  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.052  -1.776  -0.631  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1       -3.533  -2.882   0.016  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.211  -3.808  -0.227  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -4.487  -2.822   0.999  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -4.910  -3.827   1.557  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -4.964  -1.471   1.338  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -4.412  -0.398   0.633  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -4.848   0.894   0.934  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -5.817   1.106   1.921  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.358   0.024   2.617  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -5.933  -1.272   2.327  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -3.435  -0.570  -0.362  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6