REMARK  Name = BDB018531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.546  -1.786   0.607  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.166  -2.295   0.523  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.084  -3.522   1.022  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.893  -4.304   1.613  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.515  -5.606   2.141  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.207  -3.875   1.743  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.113  -4.515   2.268  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.505  -2.533   1.184  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -2.699   1.933  -0.973  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -2.631   1.808   0.360  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1       -2.271   0.602   0.848  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1       -1.980  -0.491   0.059  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -2.091  -0.255  -1.295  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1       -2.448   0.933  -1.828  0.00  0.00    -0.222 NA
BRANCH   9  16
ATOM     15  C   LIG    1       -3.980   3.932  -0.790  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -3.037   3.145  -1.553  0.00  0.00    -0.317 N 
ATOM     17  H   LIG    1       -3.318   2.930  -2.503  0.00  0.00    +0.149 HD
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1        0.888  -1.527  -0.071  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.242  -0.233   0.240  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.294   0.120  -0.578  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        2.604  -0.904  -1.423  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        1.774  -1.893  -1.094  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.014   1.354  -0.669  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        3.027   2.346   0.335  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1        3.733   3.545   0.098  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1        3.799   4.825   1.266  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        4.431   3.751  -1.095  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        4.448   2.761  -2.067  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.752   1.572  -1.855  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1        2.438   2.160   1.630  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        1.972   1.989   2.680  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5