REMARK  Name = BDB056908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.831  -2.007   0.442  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.474  -0.752   0.641  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1       -3.848  -0.744   0.907  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -4.613   0.468   1.236  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1       -4.507   1.672   0.411  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.297   2.237   0.036  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -1.974   1.740   0.450  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1       -1.040   2.539   0.535  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -3.312   3.413  -0.740  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.514   4.004  -1.136  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.721   3.436  -0.747  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.718   2.279   0.030  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1       -5.447   0.432   2.137  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1       -4.583  -1.943   0.959  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.968  -3.174   0.746  0.00  0.00    -0.049 A 
ATOM     16  C   LIG    1       -4.765  -4.444   0.762  0.00  0.00    +0.044 C 
ATOM     17  N   LIG    1       -1.693   0.416   0.631  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -0.685   0.286   0.688  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1       -2.600  -3.192   0.476  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  22
ATOM     20  C   LIG    1        1.685  -1.619   0.075  0.00  0.00    +0.242 A 
ATOM     21  O   LIG    1        0.438  -1.125   0.419  0.00  0.00    -0.416 OA
ATOM     22  C   LIG    1       -0.400  -2.177   0.170  0.00  0.00    +0.251 A 
ATOM     23  N   LIG    1        0.250  -3.233  -0.268  0.00  0.00    -0.107 NA
ATOM     24  N   LIG    1        1.578  -2.875  -0.335  0.00  0.00    -0.108 NA
BRANCH  20  26
ATOM     25  C   LIG    1        4.056  -1.297  -0.205  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1        2.859  -0.828   0.180  0.00  0.00    +0.070 C 
BRANCH  25  28
ATOM     27  C   LIG    1        5.440   0.804  -0.597  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1        5.300  -0.513  -0.104  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1        6.404  -1.149   0.487  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1        7.619  -0.481   0.609  0.00  0.00    +0.042 A 
ATOM     31 CL   LIG    1        8.960  -1.268   1.344  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        7.755   0.821   0.139  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1        6.670   1.462  -0.464  0.00  0.00    +0.047 A 
BRANCH  27  35
ATOM     34  C   LIG    1        4.442   2.681  -1.697  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        4.337   1.354  -1.200  0.00  0.00    -0.495 OA
ENDBRANCH  27  35
ENDBRANCH  25  28
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 4