REMARK  Name = BDB063835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.529  -4.478   1.144  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.323  -3.288   1.020  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.249  -2.219   0.562  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.507  -2.483   0.185  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.593  -1.008   0.586  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.604  -1.287   1.004  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.818  -2.596   1.266  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.654  -3.021   1.622  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.501  -1.510  -0.298  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -3.570  -0.202   0.211  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -4.576   0.609  -0.304  0.00  0.00    +0.156 A 
ATOM     12  C   LIG    1       -5.500   0.214  -1.257  0.00  0.00    +0.109 A 
ATOM     13  N   LIG    1       -6.351   1.254  -1.541  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1       -5.915   2.219  -0.761  0.00  0.00    +0.309 A 
ATOM     15  C   LIG    1       -5.442  -1.092  -1.753  0.00  0.00    +0.032 A 
ATOM     16  O   LIG    1       -4.843   1.908   0.022  0.00  0.00    -0.442 OA
ATOM     17  C   LIG    1       -4.438  -1.942  -1.258  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.625  -0.412   1.195  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        2.550  -0.807   1.281  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.569   0.970   0.736  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        1.845   1.085  -0.767  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1        3.209   0.614  -1.260  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        4.402   1.331  -0.633  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        4.720   0.829   0.769  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        3.883   1.422   1.898  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        2.459   1.880   1.589  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3