REMARK  Name = BDB063832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.266  -1.242   3.439  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.049  -1.005   2.268  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.999  -0.565   1.211  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.294  -0.346   1.469  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.321  -0.423   0.019  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.091  -0.734   0.302  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.124  -1.075   1.592  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.985  -1.375   2.011  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.315   0.103   0.509  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.330   0.956   0.973  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        6.325   1.365   0.071  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        6.351   0.946  -1.261  0.00  0.00    +0.102 A 
ATOM     13  N   LIG    1        7.408   1.447  -2.014  0.00  0.00    -0.141 NA
ATOM     14  N   LIG    1        8.192   2.236  -1.300  0.00  0.00    -0.109 NA
ATOM     15  C   LIG    1        5.338   0.077  -1.709  0.00  0.00    +0.031 A 
ATOM     16  S   LIG    1        7.687   2.397   0.285  0.00  0.00    +0.037 S 
ATOM     17  C   LIG    1        4.337  -0.338  -0.819  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.903  -0.720  -0.622  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.591  -0.319  -1.503  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.327  -0.566  -0.350  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.088  -1.070  -1.588  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -4.590  -1.261  -1.398  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -5.352  -0.028  -0.919  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -5.081   0.299   0.546  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -3.854   1.169   0.799  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -2.623   0.913  -0.067  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3