REMARK  Name = BDB033554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.834  -0.131  -1.700  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.547   0.127  -1.498  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.080  -1.122  -1.247  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.424  -1.366  -0.990  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.276  -0.248  -0.987  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.757   1.041  -1.232  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.089  -2.051  -1.288  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.391   1.255  -1.492  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.116  -1.429  -1.567  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.768   0.857  -1.976  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.473   1.830  -1.902  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.423   0.637  -1.915  0.00  0.00    +0.082 S 
ATOM     13  O   LIG    1       -3.753  -0.316  -2.955  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -4.005   1.966  -1.942  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.570  -1.148  -0.140  0.00  0.00    +0.153 A 
ATOM     16  C   LIG    1       -3.752  -0.036  -0.327  0.00  0.00    +0.211 A 
ATOM     17  C   LIG    1       -3.185   0.548   0.796  0.00  0.00    +0.246 A 
ATOM     18  N   LIG    1       -3.375   0.076   2.056  0.00  0.00    -0.219 NA
ATOM     19  C   LIG    1       -4.175  -0.999   2.202  0.00  0.00    +0.118 A 
ATOM     20  C   LIG    1       -4.798  -1.633   1.147  0.00  0.00    +0.067 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.690  -2.975  -1.546  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.265  -1.721  -1.169  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -2.388   1.665   0.645  0.00  0.00    -0.478 OA
ATOM     24  C   LIG    1       -1.883   2.186   1.870  0.00  0.00    +0.279 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        0.807   2.471  -1.724  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.668   3.598  -1.838  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.750  -0.437  -0.703  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.990  -0.707   0.708  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        5.154  -1.977   1.135  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.362  -1.845   2.447  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        5.346  -0.500   2.860  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        5.111   0.216   1.710  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8