REMARK  Name = BDB007816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.922   0.625   1.185  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1        2.552   1.248   2.247  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        3.935   1.152   2.087  0.00  0.00    -0.204 NA
ATOM      4  C   LIG    1        4.086   0.489   0.956  0.00  0.00    +0.229 A 
ATOM      5  O   LIG    1        2.908   0.127   0.370  0.00  0.00    -0.434 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        5.324   0.074   0.307  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        5.347  -0.400  -1.031  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        6.578  -0.783  -1.580  0.00  0.00    +0.047 A 
ATOM      9  N   LIG    1        6.347  -1.204  -2.871  0.00  0.00    -0.361 N 
ATOM     10  H   LIG    1        7.064  -1.537  -3.501  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        5.020  -1.095  -3.175  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        7.785  -0.715  -0.873  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        7.746  -0.238   0.436  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        4.377  -0.600  -2.063  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        6.542   0.151   1.015  0.00  0.00    +0.014 A 
ENDBRANCH   4   6
BRANCH   1  19
ATOM     16  C   LIG    1       -2.087  -0.133  -0.214  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -1.752   1.064   0.438  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -0.453   1.319   0.900  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        0.563   0.380   0.724  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        0.246  -0.809   0.056  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -1.055  -1.058  -0.407  0.00  0.00    +0.024 A 
BRANCH  16  28
ATOM     22  C   LIG    1       -6.157   1.137  -0.624  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -5.862  -0.286  -0.110  0.00  0.00    +0.029 C 
ATOM     24  N   LIG    1       -6.132  -1.292  -1.171  0.00  0.00    -0.308 NA
ATOM     25  H   LIG    1       -7.033  -1.098  -1.604  0.00  0.00    +0.123 HD
ATOM     26  C   LIG    1       -5.086  -1.280  -2.209  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -3.651  -1.393  -1.651  0.00  0.00    +0.120 C 
ATOM     28  N   LIG    1       -3.404  -0.328  -0.658  0.00  0.00    -0.327 N 
ATOM     29  C   LIG    1       -4.399  -0.364   0.444  0.00  0.00    +0.126 C 
ATOM     30  C   LIG    1       -6.837  -0.595   1.040  0.00  0.00    +0.029 C 
ENDBRANCH  16  28
ENDBRANCH   1  19
BRANCH   2  31
ATOM     31  C   LIG    1        1.961   1.898   3.408  0.00  0.00    +0.264 C 
ATOM     32  O   LIG    1        0.763   1.965   3.656  0.00  0.00    -0.269 OA
ATOM     33  N   LIG    1        2.886   2.449   4.250  0.00  0.00    -0.324 N 
ATOM     34  H   LIG    1        3.873   2.329   4.052  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        2.579   2.872   5.112  0.00  0.00    +0.145 HD
ENDBRANCH   2  31
TORSDOF 4