REMARK  Name = BDB052900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.617  -3.397  -0.010  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.030  -2.090  -0.404  0.00  0.00    +0.047 C 
ATOM      3  N   LIG    1       -1.207  -2.261  -1.107  0.00  0.00    -0.260 NA
ATOM      4  C   LIG    1       -2.001  -1.247  -1.250  0.00  0.00    +0.031 C 
ATOM      5  C   LIG    1       -1.718   0.152  -0.761  0.00  0.00    +0.111 C 
ATOM      6  C   LIG    1       -2.645   0.334   0.433  0.00  0.00    +0.143 C 
ATOM      7  C   LIG    1       -4.124   0.130   0.106  0.00  0.00    +0.081 C 
ATOM      8  C   LIG    1       -4.399  -1.226  -0.599  0.00  0.00    -0.023 C 
ATOM      9  C   LIG    1       -5.828  -1.208  -1.169  0.00  0.00    +0.011 C 
ATOM     10  C   LIG    1       -4.306  -2.371   0.431  0.00  0.00    +0.011 C 
ATOM     11  O   LIG    1       -2.285   0.639   1.564  0.00  0.00    -0.297 OA
ATOM     12  C   LIG    1       -0.206   0.361  -0.634  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1       -3.405  -1.472  -1.766  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1        0.492  -0.874  -0.131  0.00  0.00    +0.044 C 
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.182   1.718  -0.062  0.00  0.00    -0.039 A 
ATOM     16  C   LIG    1        0.370   2.805  -0.935  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        0.735   4.062  -0.449  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        0.912   4.256   0.917  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        0.719   3.195   1.797  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        0.354   1.938   1.312  0.00  0.00    +0.004 A 
ENDBRANCH  12  15
BRANCH  14  21
ATOM     21  C   LIG    1        1.775  -0.779   0.617  0.00  0.00    +0.247 C 
ATOM     22  N   LIG    1        2.776  -0.191  -0.126  0.00  0.00    -0.282 N 
ATOM     23  H   LIG    1        2.535   0.111  -1.060  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.850  -1.217   1.758  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.097   0.081   0.284  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        4.607  -0.242   1.544  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        5.932   0.065   1.874  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        6.752   0.698   0.945  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        8.380   1.075   1.352  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        6.258   1.027  -0.314  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.934   0.720  -0.642  0.00  0.00    +0.025 A 
ENDBRANCH  22  25
ENDBRANCH  14  21
TORSDOF 3