REMARK  Name = BDB063865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.584  -0.472   0.988  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.893  -1.412   1.909  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.310  -1.761   2.646  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.182  -1.793   1.734  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.826  -2.603   2.369  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.604  -0.964   0.572  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.836  -1.052   0.053  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.550  -0.170   0.173  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.375  -0.303  -1.095  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.381  -0.910  -1.865  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.941  -0.198  -2.942  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.532   1.098  -3.263  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.173   1.674  -4.349  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.048   0.826  -4.838  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.534   1.702  -2.476  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.171  -0.687  -4.047  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.973   1.001  -1.400  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.638   0.112   0.924  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.721   0.716   0.110  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -2.942   0.687   1.561  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -1.893  -0.459   1.394  0.00  0.00    +0.076 C 
ATOM     22  C   LIG    1       -2.354  -1.581   0.451  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -2.865  -1.117  -0.923  0.00  0.00    -0.012 C 
ATOM     24  C   LIG    1       -1.799  -1.232  -2.012  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -3.458   0.295  -0.887  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -4.044   0.615   0.482  0.00  0.00    +0.006 C 
BRANCH  20  28
ATOM     27  C   LIG    1       -4.687   1.729   3.148  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -3.530   0.732   3.007  0.00  0.00    -0.012 C 
ATOM     29  C   LIG    1       -2.453   1.102   4.039  0.00  0.00    +0.007 C 
ENDBRANCH  20  28
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4