REMARK  Name = BDB041526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.030  -0.120   1.058  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.372  -1.322   0.462  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1       -0.168  -1.654  -0.337  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.615   0.491   1.895  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.095   0.062  -0.972  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.752   1.206  -0.490  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1       -3.140   1.922   0.555  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.923   1.503   1.081  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.345   0.368   0.542  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -1.901  -0.353  -0.473  0.00  0.00    -0.247 NA
BRANCH   5  12
ATOM     11  C   LIG    1       -3.084  -0.280  -3.454  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -3.615  -0.773  -2.117  0.00  0.00    +0.052 C 
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.079   1.686  -1.025  0.00  0.00    +0.180 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.204   0.990  -0.414  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.989   0.192  -1.167  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.916  -0.243  -0.310  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.746   0.292   0.979  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.638   1.100   0.879  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        1.831  -2.071   0.686  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1        1.891  -2.450   2.081  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.927  -3.083  -0.349  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.031  -0.834   0.300  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1        4.109  -0.574   1.143  0.00  0.00    +0.154 A 
ATOM     24  O   LIG    1        4.325  -1.306   2.302  0.00  0.00    -0.486 OA
ATOM     25  C   LIG    1        5.482  -0.920   3.111  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1        6.829  -0.766   2.328  0.00  0.00    +0.053 C 
ATOM     27  C   LIG    1        6.211   0.619   1.916  0.00  0.00    +0.030 C 
ATOM     28  C   LIG    1        5.640   0.614   3.380  0.00  0.00    +0.053 C 
ATOM     29  C   LIG    1        5.057   0.440   0.850  0.00  0.00    -0.000 A 
ATOM     30  C   LIG    1        4.897   1.183  -0.323  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        3.835   0.915  -1.187  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1        2.920  -0.103  -0.889  0.00  0.00    +0.150 A 
BRANCH  32  33
ATOM     33  O   LIG    1        1.878  -0.313  -1.756  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        2.328  -0.972  -2.943  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7