REMARK  Name = BDB061592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.061  -0.515   0.288  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -0.903  -0.875  -0.567  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -2.190  -0.647  -0.207  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -2.523  -0.039   0.991  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -1.453   0.309   1.800  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.165   0.056   1.473  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.170  -1.093  -1.215  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.195  -2.006  -0.905  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -5.121  -2.424  -1.873  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -6.229  -3.366  -1.501  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.028  -1.914  -3.171  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.008  -1.025  -3.505  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.086  -0.624  -2.537  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -3.875   0.230   1.362  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -4.973   0.421   1.686  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1        1.726  -0.846  -0.215  0.00  0.00    -0.081 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.632   0.051   1.081  0.00  0.00    +0.112 C 
BRANCH  17  22
ATOM     18  C   LIG    1        8.380  -0.246   0.158  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        6.907  -0.152   0.424  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        6.153   0.889  -0.128  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.774   0.958   0.087  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.124  -0.017   0.857  0.00  0.00    -0.037 A 
ATOM     23  C   LIG    1        4.878  -1.070   1.391  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.256  -1.139   1.173  0.00  0.00    +0.003 A 
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  S   LIG    1       -1.648   1.102   3.391  0.00  0.00    -0.042 S 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.849   2.751   2.828  0.00  0.00    +0.141 A 
ATOM     27  S   LIG    1       -1.739   4.091   3.896  0.00  0.00    -0.069 S 
ATOM     28  C   LIG    1       -2.067   5.146   2.586  0.00  0.00    +0.067 A 
ATOM     29  C   LIG    1       -2.241   4.412   1.433  0.00  0.00    +0.120 A 
ATOM     30  N   LIG    1       -2.116   3.044   1.573  0.00  0.00    -0.241 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7