REMARK  Name = BDB061314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.680  -2.467  -1.932  0.00  0.00    +0.151 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -2.502  -1.323  -0.533  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1       -1.459  -1.234  -1.485  0.00  0.00    +0.309 C 
ATOM      4  O   LIG    1       -1.304  -0.416  -2.378  0.00  0.00    -0.252 OA
ATOM      5  N   LIG    1       -0.586  -2.302  -1.247  0.00  0.00    -0.279 N 
ATOM      6  C   LIG    1       -0.929  -2.998  -0.034  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1       -2.340  -2.521   0.264  0.00  0.00    +0.134 C 
BRANCH   2  13
ATOM      8  C   LIG    1       -7.100   2.118   0.022  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.890   1.241  -0.144  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1       -4.861   1.568  -1.044  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1       -4.919   2.816  -1.882  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.746   0.713  -1.164  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -3.627  -0.464  -0.414  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -4.665  -0.768   0.477  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -5.778   0.069   0.610  0.00  0.00    +0.005 A 
ENDBRANCH   2  13
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        1.818  -2.023  -1.063  0.00  0.00    +0.008 A 
ATOM     17  S   LIG    1        2.209  -0.362  -0.925  0.00  0.00    -0.092 S 
ATOM     18  C   LIG    1        3.498  -0.666   0.166  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.637  -2.024   0.394  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        2.674  -2.803  -0.311  0.00  0.00    +0.013 A 
BRANCH  18  21
ATOM     21  C   LIG    1        4.307   0.441   0.700  0.00  0.00    -0.011 A 
ATOM     22  C   LIG    1        5.698   0.299   0.814  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        6.487   1.337   1.330  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        5.885   2.531   1.740  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        4.503   2.683   1.636  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.721   1.645   1.122  0.00  0.00    +0.009 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.951   1.123   1.423  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        8.544   0.105   1.115  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        8.608   2.195   1.900  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        9.547   1.914   1.900  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  18  21
ENDBRANCH   1  16
TORSDOF 6