REMARK  Name = BDB028705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.390  -0.780  -0.802  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.787  -0.177  -0.287  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.231  -1.079   0.658  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.377  -0.917   1.431  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        3.119   0.259   1.215  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.676   1.204   0.260  0.00  0.00    +0.053 A 
ATOM      7  O   LIG    1        0.379  -2.136   0.709  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.511   1.011  -0.506  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.642  -1.949  -0.206  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.176  -0.208  -1.793  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.972   0.754  -2.058  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.724  -0.706  -2.174  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.286   0.339  -3.010  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.622  -2.061  -2.676  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.388  -1.732  -0.209  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.605  -0.658  -0.638  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.525   0.493   0.160  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.166   0.539   1.403  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.941  -0.537   1.828  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -5.066  -1.662   1.015  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.919  -3.970  -0.521  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.620  -2.822  -1.002  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -2.771   1.572  -0.228  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.605   2.679  -0.580  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.021   1.879  -1.443  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.743   3.090  -1.644  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.390   0.498   2.009  0.00  0.00    +0.196 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.534   0.256   1.066  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        6.409   1.242   0.807  0.00  0.00    -0.080 NA
ATOM     30  O   LIG    1        7.337   0.703  -0.067  0.00  0.00    -0.363 OA
ATOM     31  C   LIG    1        7.026  -0.593  -0.311  0.00  0.00    +0.230 A 
ATOM     32  C   LIG    1        5.899  -0.935   0.388  0.00  0.00    +0.070 A 
ENDBRANCH  27  28
BRANCH  27  33
ATOM     33  O   LIG    1        4.361   1.823   2.542  0.00  0.00    -0.381 OA
ATOM     34  H   LIG    1        5.251   2.187   2.372  0.00  0.00    +0.211 HD
ENDBRANCH  27  33
ENDBRANCH   5  27
TORSDOF 9