REMARK  Name = BDB063866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.881  -0.106  -0.843  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        1.028   0.575  -2.002  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.330   0.751  -2.700  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.325   0.950  -2.131  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.849   1.565  -3.038  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.936   0.415  -0.885  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        4.232   0.594  -0.599  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.970  -0.231  -0.144  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.939   0.126   0.604  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.644  -1.103   1.214  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.386  -1.500   2.341  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.415  -0.715   2.862  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.058  -1.235   3.975  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.521  -2.393   4.285  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.715   0.507   2.232  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.238  -2.933   3.290  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.981   0.911   1.109  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.311  -0.620  -0.447  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.255  -0.983   0.502  0.00  0.00    +0.149 HD
BRANCH  18  22
ATOM     20  C   LIG    1       -3.001  -2.033  -1.761  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -2.695  -1.190  -0.522  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -1.624  -0.101  -0.814  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1       -1.868   1.250  -0.096  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1       -3.303   1.379   0.430  0.00  0.00    -0.003 C 
ATOM     25  C   LIG    1       -4.471   0.850  -0.495  0.00  0.00    -0.029 C 
ATOM     26  C   LIG    1       -4.380   1.172  -1.987  0.00  0.00    +0.011 C 
ATOM     27  C   LIG    1       -5.893   1.237  -0.034  0.00  0.00    +0.011 C 
ATOM     28  C   LIG    1       -3.610   0.172   1.357  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1       -3.987  -0.568   0.037  0.00  0.00    -0.000 C 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3