REMARK  Name = BDB063395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.343  -0.005  -1.599  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1        0.606  -1.253  -1.079  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1       -0.394  -0.932   0.032  0.00  0.00    +0.105 C 
ATOM      4  N   LIG    1       -1.395   0.066  -0.396  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -0.970   0.972  -1.484  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        0.523   1.272  -1.363  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.751   0.000   0.029  0.00  0.00    +0.101 C 
ATOM      8  C   LIG    1       -3.824   0.183  -1.040  0.00  0.00    +0.227 C 
ATOM      9  O   LIG    1       -3.538   0.290  -2.230  0.00  0.00    -0.284 OA
ATOM     10  C   LIG    1       -5.248   0.219  -0.633  0.00  0.00    +0.123 A 
ATOM     11  C   LIG    1       -5.616  -0.017   0.671  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -6.977   0.009   0.998  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -7.916   0.271   0.006  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -7.460   0.500  -1.280  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -4.608  -0.286   1.691  0.00  0.00    +0.208 C 
ATOM     16  O   LIG    1       -4.973  -0.551   2.832  0.00  0.00    -0.286 OA
ATOM     17  N   LIG    1       -6.153   0.480  -1.619  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1       -3.176  -0.212   1.294  0.00  0.00    +0.113 C 
ATOM     19 CL   LIG    1       -2.076  -0.338   2.640  0.00  0.00    -0.078 Cl
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        2.793   0.117  -1.092  0.00  0.00    +0.022 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.961   0.200   0.426  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.145  -0.830   0.920  0.00  0.00    +0.289 C 
ATOM     23  N   LIG    1        4.357   0.286   0.795  0.00  0.00    -0.305 N 
ATOM     24  H   LIG    1        4.799   1.194   0.864  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        4.759  -1.982   0.785  0.00  0.00    -0.261 OA
BRANCH  22  28
ATOM     26  C   LIG    1        9.091  -0.086   1.796  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1        7.685  -0.342   1.484  0.00  0.00    -0.096 C 
ATOM     28  C   LIG    1        6.532  -0.565   1.228  0.00  0.00    -0.008 C 
ENDBRANCH  22  28
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5