REMARK  Name = BDB018506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.737  -0.255   0.806  0.00  0.00    -0.236 N 
ATOM      2  N   LIG    1        1.702  -0.671   2.108  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1        0.486  -1.187   2.275  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.276  -1.164   1.097  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.566  -0.602   0.163  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.615  -1.634   0.886  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.632  -0.821   0.195  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -3.880  -1.301   0.033  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -4.263  -2.646   0.525  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -5.409  -3.044   0.340  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -3.263  -3.357   1.173  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -3.554  -4.686   1.687  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.986  -2.850   1.338  0.00  0.00    +0.098 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -2.401   0.543  -0.332  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.365   0.772  -1.716  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -2.114   2.054  -2.212  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.890   3.107  -1.328  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -1.551   4.677  -1.943  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -1.931   2.895   0.048  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.190   1.615   0.546  0.00  0.00    +0.010 A 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  22
ATOM     21  C   LIG    1        2.972   1.031  -0.958  0.00  0.00    +0.145 A 
ATOM     22  C   LIG    1        2.898   0.426   0.314  0.00  0.00    +0.108 A 
ATOM     23  C   LIG    1        4.016   0.499   1.177  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        5.195   1.136   0.784  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        5.271   1.710  -0.481  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.171   1.656  -1.342  0.00  0.00    +0.049 A 
BRANCH  21  28
ATOM     27  C   LIG    1        1.829   1.898  -2.874  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        1.881   0.990  -1.779  0.00  0.00    -0.493 OA
ENDBRANCH  21  28
BRANCH  24  29
ATOM     29  C   LIG    1        6.319   1.193   1.671  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1        7.237   1.245   2.380  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
ENDBRANCH   1  22
TORSDOF 5