REMARK  Name = BDB009548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.507  -0.541  -0.338  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.273   0.282  -0.374  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.945  -0.653  -0.636  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.104  -1.662   0.510  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.239  -2.191   1.041  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -1.438  -1.853   0.152  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1       -2.319  -2.682  -0.075  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.134   1.236   0.817  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.684   2.376   0.688  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.853   3.276   1.744  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.192   3.059   2.947  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.395   4.163   4.249  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.642   1.956   3.096  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.806   1.056   2.036  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1        2.217   0.056  -1.082  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.300   0.509  -2.413  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.436   1.179  -2.870  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        3.506   1.728  -4.499  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.509   1.411  -2.016  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.443   0.969  -0.696  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.307   0.298  -0.232  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1       -2.608  -0.246  -1.294  0.00  0.00    +0.102 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.913   1.533  -0.018  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.102   1.215  -1.267  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -2.241  -0.702  -2.729  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -1.267   0.144  -3.340  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -1.730   0.940  -3.655  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1       -0.178  -3.696   1.329  0.00  0.00    +0.133 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.732  -3.989   2.486  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        1.880  -4.392   2.414  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        0.164  -3.729   3.678  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        0.854  -3.971   4.331  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9