REMARK  Name = BDB018536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.787   0.238  -3.470  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -2.036  -0.503  -3.191  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -2.905  -0.667  -4.209  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -2.677  -0.168  -5.479  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -3.686  -0.394  -6.504  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.530   0.542  -5.804  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -1.276   1.015  -6.907  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.553   0.727  -4.702  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.002   0.893  -0.375  0.00  0.00    +0.218 A 
ATOM     10  N   LIG    1        1.308   1.939  -0.859  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        0.463   1.719  -1.888  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        0.259   0.485  -2.464  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        1.035  -0.518  -1.930  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1        1.895  -0.338  -0.904  0.00  0.00    -0.222 NA
BRANCH   9  19
ATOM     15  C   LIG    1        4.570   1.473   4.617  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1        3.609   1.256   3.536  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1        4.037   0.123   2.685  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1        3.067  -0.137   1.510  0.00  0.00    +0.123 C 
ATOM     19  N   LIG    1        2.844   1.087   0.722  0.00  0.00    -0.297 N 
ATOM     20  C   LIG    1        2.511   2.278   1.519  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        3.503   2.463   2.688  0.00  0.00    +0.103 C 
ENDBRANCH   9  19
ENDBRANCH   1  12
BRANCH   2  22
ATOM     22  C   LIG    1       -2.315  -1.056  -1.894  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -2.137  -0.445  -0.673  0.00  0.00    +0.123 A 
ATOM     24  N   LIG    1       -2.417  -1.382   0.303  0.00  0.00    -0.238 N 
ATOM     25  N   LIG    1       -2.915  -2.509  -0.247  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1       -2.828  -2.322  -1.565  0.00  0.00    +0.143 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -2.167  -1.277   1.704  0.00  0.00    +0.084 A 
ATOM     28  C   LIG    1       -2.746  -2.162   2.644  0.00  0.00    +0.095 A 
ATOM     29  C   LIG    1       -2.392  -2.026   4.002  0.00  0.00    +0.060 A 
ATOM     30 CL   LIG    1       -3.043  -3.053   5.238  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -1.491  -1.040   4.420  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1       -0.932  -0.169   3.494  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -1.268  -0.282   2.146  0.00  0.00    +0.029 A 
BRANCH  28  34
ATOM     34  C   LIG    1       -3.731  -3.153   2.295  0.00  0.00    +0.103 C 
ATOM     35  N   LIG    1       -4.553  -3.946   2.084  0.00  0.00    -0.191 NA
ENDBRANCH  28  34
ENDBRANCH  24  27
ENDBRANCH   2  22
TORSDOF 5