REMARK  Name = BDB055038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.609   0.574  -0.854  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1       -2.369   0.539   0.675  0.00  0.00    +0.095 S 
ATOM      3  O   LIG    1       -3.109   1.772   0.854  0.00  0.00    -0.150 OA
ATOM      4  O   LIG    1       -1.436   0.081   1.683  0.00  0.00    -0.150 OA
BRANCH   2   5
ATOM      5  C   LIG    1       -3.629  -0.724   0.645  0.00  0.00    +0.269 A 
ATOM      6  N   LIG    1       -4.460  -1.005   1.702  0.00  0.00    -0.318 N 
ATOM      7  C   LIG    1       -4.461  -0.348   2.986  0.00  0.00    +0.151 C 
ATOM      8  C   LIG    1       -5.291  -2.024   1.323  0.00  0.00    +0.108 A 
ATOM      9  C   LIG    1       -4.927  -2.324   0.033  0.00  0.00    +0.132 A 
ATOM     10  N   LIG    1       -3.899  -1.520  -0.384  0.00  0.00    -0.219 NA
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -2.517   0.922  -1.984  0.00  0.00    +0.113 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -1.496   3.219  -2.328  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -1.812   1.867  -2.972  0.00  0.00    -0.001 C 
ATOM     14  C   LIG    1       -2.686   2.073  -4.211  0.00  0.00    +0.008 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.744  -0.600  -1.138  0.00  0.00    +0.144 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.679  -0.420  -0.660  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1        1.221  -1.280   0.309  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.543  -1.128   0.747  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        3.099  -2.021   1.750  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1        4.352  -1.802   2.156  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1        5.213  -0.678   1.623  0.00  0.00    +0.123 C 
ATOM     22  O   LIG    1        4.634   0.111   0.563  0.00  0.00    -0.482 OA
ATOM     23  C   LIG    1        5.542   0.293   2.763  0.00  0.00    +0.060 C 
ATOM     24  C   LIG    1        6.511  -1.265   1.055  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1        3.333  -0.110   0.211  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1        2.806   0.750  -0.751  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        1.487   0.599  -1.183  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6