REMARK  Name = BDB035988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.270   0.927   2.931  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.103   0.274   1.993  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        2.348   0.276   2.600  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.515  -0.253   2.032  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.418  -0.844   0.752  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.171  -0.866   0.127  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        1.766  -1.464  -1.172  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        0.388  -0.824  -1.327  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.117  -0.505  -0.015  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        2.248   0.851   3.827  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.034  -0.331   0.739  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        0.934   1.229   4.053  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.092   1.215   2.867  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -1.427   1.655   3.724  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -1.736   2.063   1.555  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -2.579   3.072   2.169  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -0.672   2.419   0.641  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.492   1.300  -0.422  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -2.827   0.905   0.762  0.00  0.00    +0.153 A 
ATOM     20  C   LIG    1       -3.018  -0.369   1.317  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1       -3.878  -1.224   0.666  0.00  0.00    +0.126 A 
ATOM     22  O   LIG    1       -4.156  -2.501   1.078  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -5.292  -2.882   0.266  0.00  0.00    +0.234 C 
ATOM     24  C   LIG    1       -5.322  -2.011  -0.991  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -4.532  -0.861  -0.498  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.350   0.392  -1.062  0.00  0.00    +0.055 A 
BRANCH  18  28
ATOM     27  C   LIG    1       -3.945   3.010  -2.034  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -3.249   2.567  -0.877  0.00  0.00    -0.493 OA
ENDBRANCH  18  28
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  29
ATOM     29  C   LIG    1        4.648  -1.439   0.111  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.610  -0.412  -0.262  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1        6.734  -0.242   0.466  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        7.369   0.752  -0.159  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        6.670   1.207  -1.292  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        5.537   0.429  -1.339  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 6