REMARK  Name = BDB022174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.523   1.658   0.372  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1        0.099   1.698   0.990  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -0.481   3.075   0.865  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.786   3.630   0.974  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -1.763   4.967   0.857  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -0.462   5.272   0.698  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.076   6.653   0.554  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -3.083   2.945   1.215  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1        0.339   4.170   0.721  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        1.711   4.136   0.685  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        2.273   4.969   0.811  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1        2.350   2.918   0.746  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        3.553   2.866   1.016  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -0.874   0.723   0.354  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -1.187   0.754  -1.011  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.088  -0.164  -1.568  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -2.708  -1.148  -0.784  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -2.380  -1.178   0.583  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.480  -0.264   1.142  0.00  0.00    +0.004 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -3.697  -2.173  -1.365  0.00  0.00    -0.013 C 
ATOM     21  C   LIG    1       -3.960  -1.999  -2.878  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -3.146  -3.600  -1.158  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -5.059  -2.045  -0.649  0.00  0.00    +0.015 C 
ENDBRANCH  17  20
ENDBRANCH   2  14
BRANCH   1  25
ATOM     24  C   LIG    1        2.455  -0.604  -0.034  0.00  0.00    +0.245 C 
ATOM     25  N   LIG    1        2.292   0.481   0.801  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1        3.032   0.663   1.471  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1        1.915  -0.700  -1.129  0.00  0.00    -0.270 OA
BRANCH  24  31
ATOM     28  C   LIG    1        5.534  -4.382  -1.147  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        4.862  -3.522  -0.118  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        3.988  -2.500  -0.512  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1        3.384  -1.668   0.441  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1        3.648  -1.871   1.801  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1        4.529  -2.878   2.198  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        5.139  -3.693   1.243  0.00  0.00    +0.003 A 
ENDBRANCH  24  31
ENDBRANCH   1  25
TORSDOF 4