REMARK  Name = BDB018538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.363  -2.536  -0.074  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.898  -2.674   0.680  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.334  -3.922   0.946  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.657  -5.058   0.536  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.222  -6.358   0.866  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.528  -4.996  -0.184  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.167  -5.965  -0.582  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.032  -3.632  -0.477  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.010   1.228  -1.115  0.00  0.00    +0.119 A 
ATOM     10  N   LIG    1        1.415   0.484  -2.067  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        0.932  -0.730  -1.707  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        0.986  -1.243  -0.416  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.593  -0.450   0.555  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.103   0.800   0.202  0.00  0.00    +0.044 A 
BRANCH   9  15
ATOM     15  N   LIG    1        2.468   2.468  -1.544  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1        2.146   2.490  -2.515  0.00  0.00    +0.148 HD
BRANCH  15  18
ATOM     17  C   LIG    1        4.439   3.102  -0.145  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        3.916   2.740  -1.531  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        4.738   1.630  -2.183  0.00  0.00    +0.027 C 
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  C   LIG    1       -1.638  -1.532   1.139  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.958  -0.403   0.420  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.623   0.458   1.272  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -2.820  -0.120   2.475  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -2.215  -1.305   2.400  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.030   1.801   1.010  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1       -3.938   2.494   1.846  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1       -4.251   3.833   1.535  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -5.352   4.774   2.489  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -3.687   4.470   0.426  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -2.801   3.784  -0.395  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -2.474   2.459  -0.108  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -4.610   1.885   2.966  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -5.208   1.449   3.861  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   2  20
TORSDOF 6