REMARK  Name = BDB018539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.039   2.603   5.979  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.129   1.883   5.101  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -1.147   1.075   5.659  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -0.977   0.896   6.861  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -0.249   0.392   4.696  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -0.401   0.551   3.369  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.475   1.413   2.844  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.270   2.039   3.732  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.576  -0.144   2.511  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.449  -1.495   2.207  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        1.250  -2.161   1.341  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        2.241  -1.467   0.749  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1        2.471  -0.124   1.027  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        1.626   0.547   1.910  0.00  0.00    +0.013 A 
BRANCH  12  15
ATOM     15  N   LIG    1        3.018  -2.188  -0.152  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        2.612  -3.124  -0.149  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.132  -1.629  -1.493  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1        1.801  -1.601  -2.247  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        2.176  -1.648  -3.727  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        3.642  -2.074  -3.786  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        3.987  -2.534  -2.377  0.00  0.00    +0.022 C 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  22
ATOM     22  C   LIG    1       -1.659   1.601   1.435  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -1.825   0.617   0.487  0.00  0.00    +0.123 A 
ATOM     24  N   LIG    1       -1.875   1.236  -0.749  0.00  0.00    -0.238 N 
ATOM     25  N   LIG    1       -1.845   2.579  -0.604  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1       -1.701   2.795   0.703  0.00  0.00    +0.143 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -1.935   0.620  -2.040  0.00  0.00    +0.084 A 
ATOM     28  C   LIG    1       -1.958   1.370  -3.243  0.00  0.00    +0.095 A 
ATOM     29  C   LIG    1       -1.998   0.677  -4.471  0.00  0.00    +0.060 A 
ATOM     30 CL   LIG    1       -2.022   1.494  -6.002  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -2.015  -0.720  -4.516  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1       -1.992  -1.452  -3.337  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -1.953  -0.791  -2.110  0.00  0.00    +0.029 A 
BRANCH  28  34
ATOM     34  C   LIG    1       -1.927   2.811  -3.295  0.00  0.00    +0.103 C 
ATOM     35  N   LIG    1       -1.898   3.966  -3.421  0.00  0.00    -0.191 NA
ENDBRANCH  28  34
ENDBRANCH  24  27
ENDBRANCH   7  22
TORSDOF 6