REMARK  Name = BDB063864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.166  -0.480   0.772  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.082  -0.936   2.020  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.973  -1.155   2.425  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.083  -0.983   2.712  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.266  -1.316   3.865  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.071  -0.514   1.703  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.375  -0.406   1.988  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.416  -0.219   0.527  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.438   0.060   1.083  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.430  -0.227  -0.291  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.499   0.223  -1.087  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.574   0.933  -0.549  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.554   1.309  -1.455  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.222   0.889  -2.654  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.580   1.200   0.833  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.747   0.030  -2.783  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.519   0.758   1.633  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.816  -0.306  -0.147  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.441  -0.055  -1.059  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -1.873  -2.388  -0.771  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -2.101  -0.992  -0.181  0.00  0.00    +0.073 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.109  -0.141  -1.008  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -4.525  -0.761  -1.073  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.465  -0.180  -0.022  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.667   1.323  -0.213  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -4.461   2.017  -0.845  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -3.159   1.315  -0.479  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4