REMARK  Name = BDB036569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.967  -1.179   0.892  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -1.116  -2.297   1.101  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1        0.077  -2.181   1.835  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        0.437  -0.923   2.352  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -0.430   0.136   2.155  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1        0.057   1.242   2.776  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1        1.257   0.934   3.391  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1        1.498  -0.347   3.098  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1       -1.622   0.066   1.438  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -3.125  -1.367   0.099  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1       -3.374  -2.354   0.061  0.00  0.00    +0.154 HD
BRANCH  10  16
ATOM     12  C   LIG    1       -4.904   1.208  -1.554  0.00  0.00    +0.038 A 
ATOM     13  N   LIG    1       -5.728   0.119  -1.533  0.00  0.00    -0.280 N 
ATOM     14  H   LIG    1       -6.665   0.035  -1.912  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1       -5.184  -0.956  -0.946  0.00  0.00    -0.158 NA
ATOM     16  C   LIG    1       -3.984  -0.543  -0.531  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1       -3.752   0.797  -0.918  0.00  0.00    +0.068 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.989   3.416  -1.193  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1       -5.288   2.498  -2.183  0.00  0.00    +0.051 C 
ENDBRANCH  12  19
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  O   LIG    1       -1.565  -3.475   0.542  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1       -0.725  -4.617   0.659  0.00  0.00    +0.277 C 
ENDBRANCH   2  20
BRANCH   8  22
ATOM     22  N   LIG    1        2.678  -0.921   3.556  0.00  0.00    -0.196 N 
ATOM     23  H   LIG    1        3.216  -0.312   4.172  0.00  0.00    +0.175 HD
BRANCH  22  24
ATOM     24  S   LIG    1        3.697  -1.812   2.566  0.00  0.00    +0.074 S 
ATOM     25  O   LIG    1        3.103  -3.110   2.326  0.00  0.00    -0.150 OA
ATOM     26  O   LIG    1        5.024  -1.694   3.133  0.00  0.00    -0.150 OA
BRANCH  24  27
ATOM     27  C   LIG    1        3.707  -0.910   1.035  0.00  0.00    +0.112 A 
ATOM     28  C   LIG    1        4.338   0.337   0.989  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1        4.347   1.050  -0.206  0.00  0.00    +0.164 A 
ATOM     30  O   LIG    1        4.990   2.261  -0.193  0.00  0.00    -0.485 OA
ATOM     31  C   LIG    1        5.233   2.739  -1.522  0.00  0.00    +0.270 C 
ATOM     32  C   LIG    1        3.990   2.582  -2.383  0.00  0.00    +0.270 C 
ATOM     33  O   LIG    1        3.654   1.198  -2.538  0.00  0.00    -0.485 OA
ATOM     34  C   LIG    1        3.713   0.531  -1.342  0.00  0.00    +0.162 A 
ATOM     35  C   LIG    1        3.112  -0.726  -1.297  0.00  0.00    +0.051 A 
ATOM     36  C   LIG    1        3.111  -1.456  -0.107  0.00  0.00    +0.032 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 7