REMARK  Name = BDB048568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.318  -1.085  -2.994  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1       -0.478  -1.457  -1.960  0.00  0.00    +0.121 A 
ATOM      3  N   LIG    1        0.724  -1.780  -2.531  0.00  0.00    -0.266 N 
ATOM      4  N   LIG    1        0.720  -1.670  -3.874  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.517  -1.246  -4.149  0.00  0.00    +0.147 A 
ENDROOT
BRANCH   1   8
ATOM      6  N   LIG    1       -3.232  -0.479  -1.699  0.00  0.00    -0.307 N 
ATOM      7  H   LIG    1       -2.622  -0.530  -0.897  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -2.699  -0.638  -2.957  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1       -3.336  -0.408  -3.980  0.00  0.00    -0.270 OA
BRANCH   6  10
ATOM     10  C   LIG    1       -4.553   0.076  -1.528  0.00  0.00    +0.141 C 
BRANCH  10  13
ATOM     11  C   LIG    1       -4.013   2.285   0.447  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1       -4.721   1.018   0.834  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -4.984   0.004  -0.091  0.00  0.00    -0.009 A 
ATOM     14  C   LIG    1       -5.635  -1.141   0.380  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -6.011  -1.228   1.717  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1       -5.718  -0.172   2.565  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -5.083   0.930   2.139  0.00  0.00    -0.237 NA
BRANCH  16  18
ATOM     18  N   LIG    1       -6.087  -0.229   3.912  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -5.659  -1.037   4.351  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -7.095  -0.323   3.984  0.00  0.00    +0.144 HD
ENDBRANCH  16  18
ENDBRANCH  10  13
ENDBRANCH   6  10
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        1.921  -2.246  -1.840  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.578  -1.139  -1.054  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        2.626  -1.188   0.345  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.237  -0.161   1.069  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.816   0.933   0.409  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        3.770   0.981  -0.990  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.159  -0.046  -1.713  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        4.476   2.038   1.197  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.699   1.585   1.845  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.711   1.332   3.172  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.975   0.974   3.414  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        7.774   1.008   2.257  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        6.923   1.415   1.257  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8