REMARK  Name = BDB059756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.503  -1.499   2.055  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.881  -0.245   1.483  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1       -4.383   0.329  -0.685  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.479   1.362  -0.463  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -2.323   1.121   0.281  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.048  -0.156   0.780  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.938  -1.197   0.512  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -4.098  -0.956  -0.232  0.00  0.00    +0.049 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.482   0.556  -1.460  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -7.311  -0.330  -0.071  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.701   0.898  -0.761  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.565   2.063   0.229  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.659   1.354  -1.873  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -8.774   0.914  -2.110  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.171   2.362  -2.631  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.866   2.510  -3.305  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.224  -2.398   1.050  0.00  0.00    +0.076 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.615  -1.905   0.723  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1        2.732  -2.425   1.390  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        4.015  -1.957   1.091  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        4.206  -0.955   0.136  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.090  -0.442  -0.535  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        1.805  -0.907  -0.241  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  N   LIG    1        5.513  -0.529  -0.161  0.00  0.00    -0.149 NA
ATOM     25  N   LIG    1        5.647   0.691   0.085  0.00  0.00    -0.149 NA
BRANCH  25  26
ATOM     26  C   LIG    1        6.957   1.113  -0.202  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        7.743   1.647   0.825  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        9.040   2.103   0.568  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        9.551   2.033  -0.727  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       11.146   2.594  -1.047  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        8.778   1.517  -1.764  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        7.482   1.063  -1.502  0.00  0.00    +0.031 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10