REMARK  Name = BDB026793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.255  -0.399   2.331  0.00  0.00    +0.040 C 
ATOM      2  C   LIG    1       -0.509  -0.168   0.800  0.00  0.00    +0.090 C 
ATOM      3  N   LIG    1        0.797  -0.401   0.081  0.00  0.00    -0.287 N 
ATOM      4  C   LIG    1        1.825   0.537   0.212  0.00  0.00    +0.246 C 
ATOM      5  O   LIG    1        3.001   0.293  -0.078  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1        1.439   1.968   0.669  0.00  0.00    +0.215 C 
ATOM      7  O   LIG    1        0.173   2.151   1.297  0.00  0.00    -0.357 OA
ATOM      8  C   LIG    1       -0.869   1.380   0.654  0.00  0.00    +0.177 C 
ENDROOT
BRANCH   8   9
ATOM      9  C   LIG    1       -1.141   2.038  -0.700  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -1.702   3.332  -0.700  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -1.963   4.000  -1.896  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.657   5.574  -1.862  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.666   3.401  -3.115  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.103   2.127  -3.136  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -0.841   1.452  -1.940  0.00  0.00    +0.006 A 
ENDBRANCH   8   9
BRANCH   2  16
ATOM     16  C   LIG    1       -1.672  -1.129   0.394  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1       -2.819  -0.709  -0.305  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -3.853  -1.596  -0.641  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.775  -2.931  -0.271  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -5.041  -4.017  -0.684  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -2.677  -3.382   0.443  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.649  -2.491   0.775  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   3  23
ATOM     23  C   LIG    1        1.158  -1.683  -0.527  0.00  0.00    +0.112 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.824  -2.615   0.447  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        2.826  -3.622  -0.070  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        1.503  -4.091   0.451  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
BRANCH   6  27
ATOM     27  C   LIG    1        2.524   2.472   1.620  0.00  0.00    +0.161 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.591   3.226   0.873  0.00  0.00    +0.308 C 
ATOM     29  O   LIG    1        3.736   4.438   0.950  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        4.394   2.456   0.109  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        4.155   1.497   0.077  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 7