REMARK  Name = BDB045528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.125  -0.058   0.740  0.00  0.00    +0.276 C 
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -6.761   2.139   1.151  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -5.770   1.144   0.602  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -6.162   0.196  -0.360  0.00  0.00    +0.123 A 
ATOM      5  C   LIG    1       -5.250  -0.703  -0.938  0.00  0.00    -0.002 A 
ATOM      6  C   LIG    1       -5.714  -1.671  -1.999  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -3.893  -0.644  -0.552  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.875  -1.548  -1.194  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -1.458  -1.069  -0.930  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -1.278  -0.684   0.541  0.00  0.00    +0.142 C 
ATOM     11  O   LIG    1       -2.215   0.338   0.924  0.00  0.00    -0.482 OA
ATOM     12  C   LIG    1       -1.430  -1.886   1.490  0.00  0.00    +0.059 C 
ATOM     13  C   LIG    1       -3.506   0.244   0.465  0.00  0.00    +0.128 A 
ATOM     14  C   LIG    1       -4.433   1.126   1.060  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1       -3.974   2.077   2.141  0.00  0.00    +0.048 C 
BRANCH   4  16
ATOM     16  O   LIG    1       -7.465   0.115  -0.779  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1       -8.041   0.468  -0.084  0.00  0.00    +0.292 HD
ENDBRANCH   4  16
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  O   LIG    1        1.145  -1.001   0.406  0.00  0.00    -0.488 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.442  -0.585   0.524  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.394  -1.543   0.171  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.760  -1.255   0.242  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        5.195   0.003   0.675  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        4.235   0.964   1.022  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.868   0.672   0.949  0.00  0.00    +0.046 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.668   0.333   0.740  0.00  0.00    +0.083 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.235   0.775  -0.572  0.00  0.00    +0.058 A 
ATOM     27  C   LIG    1        8.004   0.090  -1.435  0.00  0.00    +0.204 A 
ATOM     28  N   LIG    1        8.389   0.795  -2.530  0.00  0.00    -0.287 N 
ATOM     29  H   LIG    1        8.963   0.394  -3.256  0.00  0.00    +0.172 HD
ATOM     30  C   LIG    1        7.957   2.092  -2.605  0.00  0.00    +0.291 A 
ATOM     31  O   LIG    1        8.185   2.898  -3.490  0.00  0.00    -0.260 OA
ATOM     32  S   LIG    1        6.995   2.418  -1.157  0.00  0.00    -0.028 S 
BRANCH  27  33
ATOM     33  O   LIG    1        8.441  -1.192  -1.361  0.00  0.00    -0.493 OA
ATOM     34  H   LIG    1        8.084  -1.601  -0.557  0.00  0.00    +0.294 HD
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7