REMARK  Name = BDB005941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.404   2.992   0.258  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.089   2.484   0.305  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -1.069   3.312   0.613  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        0.194   2.853   0.553  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        0.504   1.538   0.283  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.522   0.623   0.110  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1       -0.144  -0.765   0.102  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.192  -1.147  -0.174  0.00  0.00    +0.338 A 
ATOM      9  O   LIG    1        1.542  -2.323  -0.046  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.072  -0.104  -0.484  0.00  0.00    -0.222 N 
ATOM     11  C   LIG    1        1.900   1.128   0.127  0.00  0.00    +0.271 A 
ATOM     12  O   LIG    1        2.764   1.908   0.517  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.859   1.117  -0.001  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.958   0.360  -0.474  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -4.248   0.879  -0.532  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.476   2.190  -0.144  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        3.327  -0.398  -1.061  0.00  0.00    +0.092 A 
ATOM     18  S   LIG    1        3.441  -1.710  -2.166  0.00  0.00    -0.079 S 
ATOM     19  C   LIG    1        5.089  -1.419  -2.481  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        5.567  -0.312  -1.815  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        6.962   0.207  -1.903  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        4.532   0.283  -1.017  0.00  0.00    +0.037 A 
ENDBRANCH  10  17
BRANCH   7  23
ATOM     23  C   LIG    1       -1.015  -1.757   0.774  0.00  0.00    +0.092 C 
ATOM     24  C   LIG    1       -1.364  -2.988  -0.081  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -1.549  -4.105   0.935  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -0.460  -3.835   1.959  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -0.438  -2.316   2.098  0.00  0.00    +0.025 C 
ENDBRANCH   7  23
BRANCH   1  29
ATOM     28  C   LIG    1       -4.845   4.884   0.599  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -3.543   4.317   0.615  0.00  0.00    -0.493 OA
ENDBRANCH   1  29
TORSDOF 3