REMARK  Name = BDB032640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.521  -0.378   1.261  0.00  0.00    -0.183 N 
ATOM      2  H   LIG    1       -0.333  -0.432   2.261  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.606  -0.087   0.394  0.00  0.00    +0.237 A 
ATOM      4  O   LIG    1        0.534   0.099  -0.948  0.00  0.00    -0.338 OA
ATOM      5  N   LIG    1        1.782   0.430  -1.436  0.00  0.00    -0.076 NA
ATOM      6  C   LIG    1        2.616   0.427  -0.382  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        1.896   0.120   0.806  0.00  0.00    +0.098 A 
BRANCH   6   8
ATOM      8  C   LIG    1        4.043   0.730  -0.528  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        4.968   0.353   0.463  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        6.327   0.651   0.322  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        6.765   1.334  -0.814  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        5.864   1.708  -1.808  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.510   1.406  -1.666  0.00  0.00    +0.010 A 
BRANCH  10  14
ATOM     14  O   LIG    1        7.316   0.338   1.213  0.00  0.00    -0.495 OA
ATOM     15  C   LIG    1        6.948  -0.433   2.349  0.00  0.00    +0.277 C 
ENDBRANCH  10  14
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1       -1.441  -1.726   0.798  0.00  0.00    +0.078 S 
ATOM     17  O   LIG    1       -1.800  -2.322   2.071  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.730  -2.471  -0.217  0.00  0.00    -0.150 OA
BRANCH  16  21
ATOM     19  C   LIG    1       -4.150   0.871  -0.775  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1       -2.988   0.330  -0.212  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -2.912  -1.041   0.079  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -3.994  -1.892  -0.189  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -5.156  -1.342  -0.741  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -5.234   0.026  -1.028  0.00  0.00    +0.007 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.730   3.140   0.121  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.239   2.345  -1.079  0.00  0.00    +0.032 C 
ENDBRANCH  19  26
BRANCH  22  27
ATOM     27  O   LIG    1       -3.837  -3.217   0.105  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -4.908  -4.102  -0.196  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 7