REMARK  Name = BDB037240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.925   0.365  -0.446  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1       -0.928  -0.216   0.376  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1        0.187   0.501  -1.231  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1        0.188   0.919  -2.383  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.459   0.042  -0.591  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        2.313  -0.632  -1.396  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.472  -1.056  -0.852  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.814  -0.868   0.484  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.909  -0.164   1.291  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.715   0.301   0.751  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.375  -1.730  -1.649  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.991  -1.778  -3.022  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.123  -1.350   1.045  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.094  -0.268   1.115  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.232   0.441   2.257  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.194   1.321   1.965  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.679   1.172   0.653  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.951   0.131   0.128  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.459   0.705  -1.048  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.513   2.148  -0.945  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.568  -0.154  -2.313  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -1.835   0.149  -2.966  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -4.961   0.597   0.095  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.666   0.053   0.084  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -3.331  -0.978   0.971  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -4.264  -1.429   1.908  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -5.548  -0.892   1.922  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -5.900   0.104   1.009  0.00  0.00    +0.047 A 
BRANCH  25  29
ATOM     29  O   LIG    1       -2.077  -1.534   0.984  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1       -2.112  -2.847   0.404  0.00  0.00    +0.277 C 
ENDBRANCH  25  29
BRANCH  23  31
ATOM     31  O   LIG    1       -5.276   1.536  -0.847  0.00  0.00    -0.491 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -5.519   3.562   0.503  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -6.162   2.595  -0.478  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 9