REMARK  Name = BDB037145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -0.690   1.209  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -1.108   0.523   0.898  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.539   1.306   0.595  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.929  -1.549   1.949  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.017  -1.988   0.586  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        3.374  -1.317  -0.598  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        2.437  -0.469  -1.217  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        1.182  -0.254  -0.649  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        0.840  -0.896   0.544  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.756  -1.769   1.151  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        3.647  -3.519   2.309  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.965  -2.829   1.105  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.727  -1.548  -1.246  0.00  0.00    +0.270 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.218  -0.400  -1.938  0.00  0.00    -0.467 OA
BRANCH  14  15
ATOM     15  C   LIG    1        5.801   0.578  -1.236  0.00  0.00    +0.257 A 
ATOM     16  S   LIG    1        6.103   0.606   0.460  0.00  0.00    -0.038 S 
ATOM     17  C   LIG    1        6.808   2.158   0.310  0.00  0.00    +0.070 A 
ATOM     18  C   LIG    1        6.771   2.554  -1.007  0.00  0.00    +0.122 A 
ATOM     19  N   LIG    1        6.197   1.653  -1.882  0.00  0.00    -0.214 NA
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  S   LIG    1       -2.529   1.091   1.566  0.00  0.00    +0.082 S 
ATOM     21  O   LIG    1       -2.930   0.297   2.704  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.231   2.506   1.703  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.771   0.900   0.308  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -4.794   1.863   0.207  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -5.733   1.762  -0.830  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -5.662   0.723  -1.758  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.670  -0.243  -1.638  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -3.744  -0.174  -0.591  0.00  0.00    +0.150 A 
BRANCH  24  29
ATOM     29  O   LIG    1       -4.856   2.830   1.172  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -5.720   3.939   0.965  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
BRANCH  28  31
ATOM     31  O   LIG    1       -2.813  -1.174  -0.533  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -3.357  -2.318   0.136  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  20  23
ENDBRANCH   2  20
TORSDOF 9