REMARK  Name = BDB053632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.464   0.513   0.654  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.854   0.309   0.472  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.607   0.730   1.502  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -1.148   1.325   2.661  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.304   1.580   3.419  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -3.422   1.184   2.802  0.00  0.00    -0.177 NA
ATOM      7  C   LIG    1        0.220   1.498   2.761  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -2.972   0.665   1.630  0.00  0.00    -0.243 N 
ATOM      9  N   LIG    1        1.014   1.087   1.744  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.940   0.118   0.671  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -3.963   0.948  -0.621  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -4.936   0.487  -1.708  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -6.235  -0.130  -1.198  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -6.117  -1.495  -0.503  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -4.719  -2.104  -0.450  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -3.732  -1.392   0.480  0.00  0.00    +0.027 C 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     17  N   LIG    1        1.256   0.085  -0.411  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1        0.655  -0.330  -1.109  0.00  0.00    +0.155 HD
BRANCH  17  22
ATOM     19  C   LIG    1        5.320  -0.205  -1.244  0.00  0.00    +0.138 A 
ATOM     20  N   LIG    1        4.434  -0.531  -2.197  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        3.124  -0.430  -1.857  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1        2.632   0.005  -0.623  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        3.601   0.383   0.305  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.961   0.290  -0.004  0.00  0.00    +0.047 A 
BRANCH  19  25
ATOM     25  N   LIG    1        6.635  -0.249  -1.746  0.00  0.00    -0.204 N 
ATOM     26  H   LIG    1        6.636  -0.664  -2.678  0.00  0.00    +0.175 HD
BRANCH  25  28
ATOM     27  C   LIG    1        8.746   0.618  -0.380  0.00  0.00    +0.218 C 
ATOM     28  S   LIG    1        7.869  -0.870  -0.805  0.00  0.00    +0.041 S 
ATOM     29  O   LIG    1        8.720  -1.621  -1.703  0.00  0.00    -0.155 OA
ATOM     30  O   LIG    1        7.352  -1.459   0.410  0.00  0.00    -0.155 OA
ENDBRANCH  25  28
ENDBRANCH  19  25
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 5