REMARK  Name = BDB022897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.575  -2.557   2.988  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.690  -2.776   1.474  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.217  -1.581   0.793  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.606  -1.426   0.750  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -3.356  -2.300   1.191  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.298  -0.438   0.662  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.169  -0.787   0.566  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.599  -2.094   0.677  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.957  -2.281   0.559  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.832  -1.277   0.375  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.331  -0.041   0.287  0.00  0.00    +0.215 A 
ATOM     12  N   LIG    1        2.026   0.243   0.384  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.639  -3.227   0.847  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.174  -0.167   0.080  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.640   0.082   0.518  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -5.655  -0.784  -0.272  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.431  -0.799  -1.729  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.421  -1.655  -2.385  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.074  -1.246  -2.046  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.041  -0.293  -1.445  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.952   1.580   0.531  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.752   2.305   1.719  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.002   3.678   1.774  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.451   4.349   0.641  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.647   3.648  -0.546  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.397   2.275  -0.602  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.162   1.051   0.083  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        3.612   1.857   0.364  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.482   0.969   0.697  0.00  0.00    +0.113 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.513   0.311  -0.229  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1        6.750   1.140  -1.521  0.00  0.00    +0.113 C 
ATOM     32  N   LIG    1        8.212   1.291  -1.570  0.00  0.00    -0.338 N 
ATOM     33  C   LIG    1        8.791   2.261  -2.471  0.00  0.00    +0.128 C 
ATOM     34  C   LIG    1        8.786   0.842  -0.408  0.00  0.00    +0.066 C 
ATOM     35  C   LIG    1        7.894   0.260   0.396  0.00  0.00    -0.005 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5