REMARK  Name = BDB040541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.002  -0.080  -1.548  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.702  -1.132  -0.951  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.981  -0.935  -0.412  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.736  -2.339   0.265  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.604   0.332  -0.443  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.886   1.379  -1.062  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.531   2.978  -1.233  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.606   1.177  -1.596  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.991   0.579   0.145  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -5.126   0.134   1.600  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -4.228   0.263   2.429  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.356  -0.349   1.980  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.436  -0.625   2.949  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.536  -0.271   1.286  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.606  -0.548   1.821  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.456   0.263  -0.123  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -6.095  -0.012  -0.740  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.387  -0.299  -2.087  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.897  -1.456  -0.498  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.347  -0.300  -1.012  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.673   0.591  -0.645  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.604  -2.562  -0.951  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.824  -1.269   0.720  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1        1.988  -0.751   1.907  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        3.409  -2.639   1.122  0.00  0.00    +0.029 C 
BRANCH  23  29
ATOM     26  C   LIG    1        5.889   1.554  -0.205  0.00  0.00    +0.156 A 
ATOM     27  C   LIG    1        4.561   1.896  -0.085  0.00  0.00    +0.160 A 
ATOM     28  N   LIG    1        3.567   1.023   0.201  0.00  0.00    -0.236 NA
ATOM     29  C   LIG    1        3.927  -0.268   0.387  0.00  0.00    +0.144 A 
ATOM     30  N   LIG    1        5.200  -0.702   0.289  0.00  0.00    -0.236 NA
ATOM     31  C   LIG    1        6.148   0.218  -0.005  0.00  0.00    +0.160 A 
BRANCH  26  33
ATOM     32  C   LIG    1        8.136   2.167  -0.613  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        6.769   2.546  -0.500  0.00  0.00    -0.492 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6