REMARK  Name = BDB017334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.531  -1.312   0.733  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.611  -1.502   1.424  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -0.635  -2.420   2.413  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.501  -3.160   2.724  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1        0.541  -4.349   3.969  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1        1.615  -2.919   1.961  0.00  0.00    +0.137 A 
ATOM      7  N   LIG    1        1.650  -2.014   0.968  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        0.491  -0.328  -0.259  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -0.419   0.120  -0.237  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  N   LIG    1        3.261   0.431  -2.286  0.00  0.00    -0.267 N 
ATOM     11  N   LIG    1        2.400   1.339  -2.790  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        1.290   1.141  -2.069  0.00  0.00    +0.157 A 
ATOM     13  C   LIG    1        1.435   0.103  -1.122  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.722  -0.340  -1.296  0.00  0.00    +0.131 A 
BRANCH  10  15
ATOM     15  C   LIG    1        4.596   0.322  -2.845  0.00  0.00    +0.177 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.994   1.042  -2.835  0.00  0.00    +0.043 C 
ATOM     17  C   LIG    1        5.693   1.028  -2.023  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        5.320   2.459  -1.624  0.00  0.00    +0.043 C 
BRANCH  17  19
ATOM     19  O   LIG    1        5.959   0.265  -0.838  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1        6.516   0.803  -0.250  0.00  0.00    +0.210 HD
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  N   LIG    1       -1.790  -2.585   3.193  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -1.905  -3.570   3.423  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.056  -1.939   2.879  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -3.046  -0.417   2.961  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -4.285  -0.030   2.152  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -4.316  -1.032   0.995  0.00  0.00    +0.011 C 
ATOM     27  C   LIG    1       -3.552  -0.348  -0.146  0.00  0.00    +0.113 C 
ATOM     28  N   LIG    1       -3.380   1.052   0.285  0.00  0.00    -0.181 NA
ATOM     29  C   LIG    1       -4.190   1.327   1.477  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1       -3.648  -2.309   1.516  0.00  0.00    +0.027 C 
BRANCH  28  31
ATOM     31  S   LIG    1       -3.081   2.252  -0.834  0.00  0.00    +0.029 S 
ATOM     32  O   LIG    1       -2.120   1.720  -1.777  0.00  0.00    -0.158 OA
ATOM     33  O   LIG    1       -2.826   3.478  -0.112  0.00  0.00    -0.158 OA
ATOM     34  C   LIG    1       -4.643   2.429  -1.676  0.00  0.00    +0.215 C 
ENDBRANCH  28  31
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 8