REMARK  Name = BDB055085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.195   1.526   0.893  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -0.016   0.835   0.612  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.776   1.257  -0.457  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        0.334   2.356  -1.194  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1       -0.806   3.041  -0.932  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.549   2.614   0.117  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.019   0.549  -0.799  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1        3.195   1.157  -0.516  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        4.426   0.509  -0.820  0.00  0.00    +0.158 A 
ATOM     10  N   LIG    1        4.375  -0.754  -1.409  0.00  0.00    -0.219 N 
ATOM     11  N   LIG    1        5.636  -1.190  -1.623  0.00  0.00    -0.129 NA
ATOM     12  C   LIG    1        6.365  -0.194  -1.134  0.00  0.00    +0.233 A 
ATOM     13  C   LIG    1        3.172  -1.389  -1.703  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1        5.678   0.872  -0.654  0.00  0.00    -0.194 NA
ATOM     15  C   LIG    1        2.008  -0.781  -1.418  0.00  0.00    +0.028 A 
BRANCH  12  16
ATOM     16  N   LIG    1        7.694  -0.151  -1.111  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1        8.177  -0.762  -1.755  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        8.109   0.767  -1.019  0.00  0.00    +0.145 HD
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  S   LIG    1       -2.224   1.034   2.227  0.00  0.00    +0.060 S 
ATOM     20  O   LIG    1       -1.388   1.021   3.407  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1       -3.455   1.786   2.177  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1       -2.549  -0.576   1.887  0.00  0.00    -0.185 NA
ATOM     23  H   LIG    1       -2.291  -1.175   2.673  0.00  0.00    +0.149 HD
BRANCH  22  25
ATOM     24  C   LIG    1       -3.751  -0.281  -0.294  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1       -3.652  -1.054   1.023  0.00  0.00    +0.032 C 
ATOM     26  C   LIG    1       -3.335  -2.525   0.697  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1       -4.974  -0.996   1.795  0.00  0.00    +0.029 C 
ENDBRANCH  22  25
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 5