REMARK  Name = BDB015715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.389  -1.519   0.409  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.277  -0.547   0.144  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.795   0.701  -0.014  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.545   0.986   0.126  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.358  -0.092   0.371  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.929  -1.343   0.554  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.811   1.746  -0.297  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.524   2.774  -1.121  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.447   3.767  -1.420  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.045   4.839  -2.317  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.740   3.764  -0.904  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.594   4.619  -1.125  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.077   2.618  -0.023  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.161   1.680   0.246  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.755   0.009   0.598  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.068  -0.949   0.783  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.665   0.615  -0.694  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.915  -0.493  -1.590  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.042   1.831  -1.177  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.202   1.095   0.108  0.00  0.00    +0.192 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.743  -0.086   0.858  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1        6.545  -1.160   0.167  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        7.233  -0.190   1.085  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -0.828  -2.824   0.607  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -2.583  -2.844   2.853  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.055  -3.092   1.449  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1       -2.164  -3.050   0.362  0.00  0.00    +0.153 A 
ATOM     28  C   LIG    1       -2.618  -3.299  -0.941  0.00  0.00    +0.084 A 
ATOM     29 CL   LIG    1       -1.538  -3.328  -2.288  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1       -3.972  -3.543  -1.171  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1       -4.870  -3.553  -0.103  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -4.414  -3.330   1.198  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 7