REMARK  Name = BDB003075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.171   2.594  -1.790  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.010   2.143   1.073  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -1.750   1.610   1.352  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -0.720   1.763   0.424  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.940   2.456  -0.776  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -2.207   2.999  -1.034  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.242   2.849  -0.110  0.00  0.00    +0.029 A 
BRANCH   2   8
ATOM      8  S   LIG    1       -4.319   1.930   2.251  0.00  0.00    +0.058 S 
ATOM      9  O   LIG    1       -5.463   2.703   1.819  0.00  0.00    -0.153 OA
ATOM     10  O   LIG    1       -3.752   2.084   3.572  0.00  0.00    -0.153 OA
BRANCH   8  11
ATOM     11  N   LIG    1       -4.694   0.315   2.081  0.00  0.00    -0.190 NA
ATOM     12  H   LIG    1       -4.464  -0.295   2.860  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.331  -0.202   0.875  0.00  0.00    +0.109 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -7.514  -0.878  -0.162  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -6.803  -0.540   1.150  0.00  0.00    -0.002 C 
ATOM     16  C   LIG    1       -6.949  -1.704   2.134  0.00  0.00    +0.008 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        0.085   1.567  -2.918  0.00  0.00    +0.100 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.381   0.155  -2.440  0.00  0.00    +0.216 C 
ATOM     19  N   LIG    1        1.703  -0.189  -2.210  0.00  0.00    -0.299 N 
ATOM     20  C   LIG    1        2.001  -1.511  -1.666  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        3.236  -1.513  -0.735  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        4.331  -0.594  -1.119  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.202  -0.154  -2.511  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        2.851   0.552  -2.742  0.00  0.00    +0.123 C 
ATOM     25  O   LIG    1       -0.546  -0.633  -2.241  0.00  0.00    -0.276 OA
BRANCH  22  26
ATOM     26  C   LIG    1        5.660  -1.157  -0.843  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.921  -1.381   0.632  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        5.852  -0.311   1.538  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.103  -0.513   2.896  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.428  -1.785   3.362  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.503  -2.855   2.473  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.253  -2.655   1.114  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9