REMARK  Name = BDB015349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.913   2.505   3.325  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.321   1.655   2.308  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.697   0.697   2.682  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.646   0.741   1.544  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        1.344  -0.376   0.763  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.379  -1.105   0.172  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.724  -0.740   0.361  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.002   0.377   1.170  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.973   1.112   1.766  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        4.813  -1.510  -0.263  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        5.791  -0.875  -1.046  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        6.819  -1.611  -1.631  0.00  0.00    +0.117 A 
ATOM     13  C   LIG    1        6.903  -2.987  -1.456  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        5.942  -3.635  -0.683  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.907  -2.902  -0.093  0.00  0.00    +0.009 A 
BRANCH  12  16
ATOM     16  O   LIG    1        7.736  -0.933  -2.380  0.00  0.00    -0.507 OA
ATOM     17  H   LIG    1        8.382  -1.569  -2.728  0.00  0.00    +0.292 HD
ENDBRANCH  12  16
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  18
ATOM     18  N   LIG    1       -0.212   2.654   1.051  0.00  0.00    -0.172 N 
ATOM     19  C   LIG    1       -0.760   2.192  -0.164  0.00  0.00    +0.201 C 
ATOM     20  N   LIG    1       -0.257   2.741  -1.225  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        0.797   3.675  -0.769  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1        0.663   3.801   0.743  0.00  0.00    +0.158 C 
BRANCH  19  23
ATOM     23  N   LIG    1       -1.758   1.258  -0.150  0.00  0.00    -0.300 N 
ATOM     24  C   LIG    1       -2.857   1.336   0.835  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1       -4.236   1.420   0.147  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1       -4.533   0.296  -0.765  0.00  0.00    -0.296 NA
ATOM     27  C   LIG    1       -3.311  -0.337  -1.288  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -2.148   0.665  -1.446  0.00  0.00    +0.123 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -5.576  -0.575  -0.215  0.00  0.00    +0.057 C 
ATOM     30  C   LIG    1       -5.129  -1.436   0.988  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -6.003  -2.562   0.385  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1       -5.786  -1.893  -0.995  0.00  0.00    +0.019 C 
ENDBRANCH  26  29
ENDBRANCH  19  23
ENDBRANCH   2  18
TORSDOF 6