REMARK  Name = BDB033619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.471  -0.150  -0.251  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.700   0.130   0.499  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.006   1.433   0.156  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.094   2.145   0.648  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        2.914   1.461   1.554  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        2.626   0.139   1.938  0.00  0.00    +0.061 A 
ATOM      7  O   LIG    1        0.079   1.895  -0.724  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.525  -0.557   1.410  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.856   0.905  -0.973  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.144  -1.361  -0.199  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.796  -2.099   0.411  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.428  -1.784  -1.177  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.834  -3.100  -0.721  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.020  -1.567  -2.548  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.513  -0.007  -1.627  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -3.715  -0.666  -0.692  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -3.921  -0.447   0.680  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -4.915   0.433   1.109  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.715   1.086   0.174  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.523   0.857  -1.189  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.784   0.823  -3.648  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.417  -0.262  -2.966  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  23
ATOM     23  O   LIG    1        1.177  -1.844   1.727  0.00  0.00    -0.494 OA
ATOM     24  C   LIG    1        2.184  -2.638   2.349  0.00  0.00    +0.277 C 
ENDBRANCH   8  23
BRANCH   5  25
ATOM     25  S   LIG    1        4.321   2.308   2.262  0.00  0.00    -0.063 S 
BRANCH  25  26
ATOM     26  C   LIG    1        5.576   1.738   1.173  0.00  0.00    +0.139 A 
ATOM     27  S   LIG    1        7.063   2.580   0.994  0.00  0.00    -0.069 S 
ATOM     28  C   LIG    1        7.581   1.402  -0.137  0.00  0.00    +0.067 A 
ATOM     29  C   LIG    1        6.599   0.449  -0.295  0.00  0.00    +0.120 A 
ATOM     30  N   LIG    1        5.458   0.638   0.461  0.00  0.00    -0.241 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7