REMARK  Name = BDB021854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.076   0.183  -0.944  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.210  -0.455  -0.418  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.402   0.054  -0.888  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.356   1.016  -1.191  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.124  -1.365   0.402  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.531  -1.124   0.917  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.136  -1.846  -0.310  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.700  -1.579  -0.779  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.261  -0.161  -0.415  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.410   0.102   1.095  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.360  -0.891   1.772  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.662  -1.782   1.619  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -5.846  -2.057   0.672  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.186  -0.985   2.845  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.084   1.171   3.796  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -5.598   0.461   2.541  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.700  -0.462  -0.685  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        3.950  -1.755  -0.215  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        5.261  -2.206  -0.056  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1        6.322  -1.359  -0.383  0.00  0.00    +0.091 A 
ATOM     21  C   LIG    1        6.091  -0.069  -0.861  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1        4.777   0.375  -1.014  0.00  0.00    +0.069 A 
BRANCH  19  23
ATOM     23  O   LIG    1        5.636  -3.443   0.397  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        4.595  -4.302   0.848  0.00  0.00    +0.277 C 
ENDBRANCH  19  23
BRANCH  21  25
ATOM     25  O   LIG    1        7.221   0.648  -1.143  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        7.045   1.990  -1.579  0.00  0.00    +0.277 C 
ENDBRANCH  21  25
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1        0.105   0.846  -2.255  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.551   2.291  -2.200  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        0.149   3.148  -1.167  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        0.569   4.480  -1.144  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.383   4.973  -2.161  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.776   4.138  -3.204  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.358   2.806  -3.227  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9