REMARK  Name = BDB015462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.702  -0.565   0.390  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.328   0.567   0.739  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.816   1.720   0.261  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.281   1.749  -0.573  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.829   0.525  -0.865  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.390  -0.638  -0.386  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.501   2.974   0.667  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.842   2.967   0.785  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.561   4.096   1.144  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -5.009   3.990   1.232  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.951   5.321   1.408  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.558   6.348   1.699  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.454   5.335   1.323  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.774   6.622   1.660  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.803   4.213   0.974  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        1.984   0.415  -1.670  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        2.109   1.129  -2.385  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.423   0.195  -0.834  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        3.333   0.910   0.422  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.457   0.531  -1.791  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.480  -1.588  -0.525  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        4.811  -1.952   0.127  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        3.266  -2.393  -1.801  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1       -1.229  -1.724   0.952  0.00  0.00    -0.420 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -1.178  -3.462  -0.727  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1       -0.708  -2.905   0.473  0.00  0.00    +0.174 A 
ATOM     27  C   LIG    1        0.265  -3.547   1.244  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        0.818  -4.745   0.792  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        0.374  -5.301  -0.413  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -0.623  -4.666  -1.166  0.00  0.00    +0.050 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -2.637  -3.289  -2.604  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -2.159  -2.761  -1.374  0.00  0.00    -0.491 OA
ENDBRANCH  25  32
BRANCH  28  33
ATOM     33  C   LIG    1        1.844  -5.396   1.551  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1        2.685  -5.919   2.156  0.00  0.00    -0.191 NA
ENDBRANCH  28  33
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8