REMARK  Name = BDB015461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.137  -1.286   0.264  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.920  -0.028  -0.155  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.356   0.332  -0.391  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.402  -0.545  -0.214  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.050  -1.820   0.152  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.193  -2.222   0.419  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.553   1.746  -0.802  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.516   2.074  -1.684  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.726   3.380  -2.100  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.798   3.636  -3.051  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.953   4.447  -1.645  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -1.124   5.617  -1.980  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        0.148   4.095  -0.693  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.019   5.213  -0.221  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        0.309   2.815  -0.320  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -1.990  -2.850   0.411  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -1.436  -3.652   0.724  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.933  -3.327  -0.906  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -2.180  -4.339  -1.614  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.430  -2.155  -1.597  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.335  -4.119  -0.091  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -5.102  -3.132   0.784  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -3.905  -5.344   0.709  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        2.435  -1.715   0.516  0.00  0.00    -0.420 OA
BRANCH  24  26
ATOM     25  C   LIG    1        3.420   0.003   1.898  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1        3.371  -0.717   0.690  0.00  0.00    +0.176 A 
ATOM     27  C   LIG    1        4.303  -0.489  -0.338  0.00  0.00    -0.004 A 
ATOM     28  C   LIG    1        4.251  -1.270  -1.619  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1        5.261   0.515  -0.162  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        5.304   1.250   1.023  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        4.393   0.993   2.051  0.00  0.00    +0.049 A 
BRANCH  25  33
ATOM     32  C   LIG    1        2.488   0.406   4.056  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        2.491  -0.340   2.846  0.00  0.00    -0.491 OA
ENDBRANCH  25  33
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7