REMARK  Name = BDB028630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245   0.248  -1.668  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.153   0.408  -1.484  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.285   1.731  -1.107  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.495   2.355  -0.821  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.647   1.560  -0.930  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.541   0.204  -1.311  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.056   2.310  -1.059  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        2.301  -0.400  -1.590  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.907   1.377  -1.401  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.837  -0.948  -2.042  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.253  -1.767  -2.194  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.454  -1.142  -2.403  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.616  -2.557  -2.676  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.797  -0.150  -3.400  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.425  -0.030  -0.784  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -3.273  -0.830  -0.860  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -2.724  -1.402   0.302  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -3.346  -1.160   1.515  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -2.931  -1.624   2.876  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -4.223  -1.401   3.674  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -4.959  -0.231   3.004  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -4.495  -0.368   1.588  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -5.047   0.197   0.451  0.00  0.00    +0.051 A 
BRANCH  15  25
ATOM     24  C   LIG    1       -4.811   1.867  -2.033  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.030   0.460  -1.908  0.00  0.00    -0.493 OA
ENDBRANCH  15  25
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        2.116  -1.707  -1.952  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        3.277  -2.529  -2.023  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        5.007   2.155  -0.637  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.574   1.614   0.591  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        6.428   0.569   0.539  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.749   0.362   1.819  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        6.112   1.267   2.686  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.360   2.070   1.862  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7