REMARK  Name = BDB028652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.705  -1.998   0.931  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.552  -1.677   0.354  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.323  -1.302   1.437  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.650  -0.896   1.354  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.221  -0.874   0.070  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -2.454  -1.242  -1.055  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1       -0.580  -1.389   2.571  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -1.112  -1.651  -0.938  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        0.696  -1.825   2.255  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        1.801  -2.427   0.194  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        1.726  -2.378  -0.822  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        3.377  -2.331   0.733  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1        3.528  -3.217   1.870  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        4.227  -2.498  -0.429  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1        3.243   0.421   0.449  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        3.569  -0.654   1.290  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1        4.048  -0.437   2.591  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        4.216   0.863   3.059  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.911   1.938   2.229  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.430   1.720   0.933  0.00  0.00    +0.047 A 
BRANCH  15  21
ATOM     21  O   LIG    1        2.771   0.121  -0.799  0.00  0.00    -0.490 OA
BRANCH  21  23
ATOM     22  C   LIG    1        3.229   1.767  -2.514  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        2.188   1.149  -1.598  0.00  0.00    +0.226 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  24
ATOM     24  O   LIG    1       -0.297  -2.004  -1.980  0.00  0.00    -0.494 OA
ATOM     25  C   LIG    1       -0.909  -2.186  -3.251  0.00  0.00    +0.277 C 
ENDBRANCH   8  24
BRANCH   5  26
ATOM     26  C   LIG    1       -4.657  -0.428  -0.097  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.775   1.021  -0.022  0.00  0.00    -0.267 N 
ATOM     28  N   LIG    1       -5.108   1.613   1.144  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -5.138   2.913   0.842  0.00  0.00    +0.134 A 
ATOM     30  C   LIG    1       -4.841   3.156  -0.511  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -4.617   1.911  -1.049  0.00  0.00    +0.108 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8