REMARK  Name = BDB032726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.948  -1.692  -0.064  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.808  -0.809  -0.731  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -3.125  -0.756  -0.314  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.226   0.064  -0.833  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -5.327  -0.187  -0.027  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -5.074  -1.267   0.917  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -4.146   0.796  -1.800  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.619  -1.534   0.729  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -2.785  -2.406   1.403  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.443  -2.476   1.006  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.685   0.251  -0.332  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -7.296  -0.582  -1.470  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -7.017  -1.764  -1.671  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.287   0.031  -2.201  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.711  -0.531  -2.927  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.847   1.266  -1.993  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.828   1.632  -2.634  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.255   2.101  -0.881  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.797   1.744  -0.640  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.506  -1.774  -0.456  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.201  -0.741   0.246  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        3.079   0.299   0.737  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        2.390   0.823   1.259  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        2.541  -0.733   0.023  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.116  -1.534  -0.699  0.00  0.00    -0.226 OA
BRANCH  22  32
ATOM     26  C   LIG    1        6.803   0.513   0.275  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.099   1.605   1.121  0.00  0.00    -0.029 A 
ATOM     28  C   LIG    1        8.508   2.119   1.281  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1        6.030   2.250   1.773  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        6.274   3.642   2.774  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        4.713   1.798   1.631  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        4.423   0.699   0.825  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        5.468   0.068   0.152  0.00  0.00    +0.027 A 
BRANCH  26  35
ATOM     34  C   LIG    1        8.448  -1.392   0.285  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        7.861  -0.235  -0.510  0.00  0.00    +0.032 C 
ENDBRANCH  26  35
ENDBRANCH  22  32
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6