REMARK  Name = BDB035953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182   2.752   0.046  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.690   1.759  -0.451  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.841   2.459  -0.772  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.009   1.879  -1.282  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.012   0.483  -1.499  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        1.855  -0.237  -1.197  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.559  -1.682  -1.380  0.00  0.00    +0.083 C 
ATOM      8  C   LIG    1        0.264  -1.788  -0.564  0.00  0.00    +0.175 C 
ATOM      9  C   LIG    1       -0.713  -2.786  -1.163  0.00  0.00    +0.052 C 
ATOM     10  O   LIG    1       -0.357  -0.482  -0.526  0.00  0.00    -0.488 OA
ATOM     11  O   LIG    1        1.641   3.783  -0.530  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        0.710   0.388  -0.697  0.00  0.00    +0.139 A 
ATOM     13  N   LIG    1        0.352   3.975  -0.055  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.480   2.608   0.522  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.932   3.508   0.680  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -1.779   1.656   1.893  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -2.437   2.530   2.847  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.547   0.985   2.253  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -4.088   0.956   0.556  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.009   0.490   1.338  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -2.924  -0.866   1.710  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -3.894  -1.757   1.238  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.937  -1.311   0.428  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -5.038   0.038   0.096  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.297   2.793  -0.403  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.164   2.300   0.302  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -1.909  -1.246   2.541  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -1.851  -2.594   2.985  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  C   LIG    1        4.245  -0.181  -2.061  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.352  -0.151  -1.114  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1        6.404   0.667  -1.330  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        7.210   0.426  -0.293  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        6.692  -0.554   0.573  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        5.491  -0.917   0.011  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7