REMARK  Name = BDB018537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.003   5.629   2.076  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        2.030   4.560   1.910  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.916   4.523   2.739  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        0.672   5.326   3.634  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -0.029   3.404   2.497  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.185   2.504   1.519  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        1.378   2.618   0.665  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.234   3.630   0.906  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.806   1.422   1.412  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -2.084   1.611   0.938  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -2.999   0.626   0.821  0.00  0.00    -0.222 NA
ATOM     12  C   LIG    1       -2.638  -0.618   1.184  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1       -1.413  -0.895   1.665  0.00  0.00    -0.222 NA
ATOM     14  C   LIG    1       -0.529   0.120   1.766  0.00  0.00    +0.124 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -3.561  -1.638   1.080  0.00  0.00    -0.300 N 
ATOM     16  C   LIG    1       -3.094  -3.018   1.120  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1       -3.817  -3.861   0.070  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -5.335  -3.811   0.226  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1       -5.833  -2.477   0.781  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -4.862  -1.333   0.499  0.00  0.00    +0.108 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  21
ATOM     21  C   LIG    1        1.629   1.693  -0.399  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        2.748   0.903  -0.546  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1        2.579   0.164  -1.704  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1        1.412   0.480  -2.302  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1        0.837   1.385  -1.513  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.451  -0.831  -2.249  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1        3.250  -1.397  -3.534  0.00  0.00    +0.095 A 
ATOM     28  C   LIG    1        4.142  -2.394  -3.979  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        3.991  -3.154  -5.531  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        5.210  -2.819  -3.183  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        5.409  -2.256  -1.930  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        4.539  -1.271  -1.465  0.00  0.00    +0.029 A 
BRANCH  27  33
ATOM     33  C   LIG    1        2.209  -0.981  -4.440  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1        1.415  -0.682  -5.234  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  23  26
ENDBRANCH   7  21
TORSDOF 5