REMARK  Name = BDB040535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.492   0.085   1.882  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.980   0.281   1.639  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.490   1.526   1.269  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.858   1.696   1.017  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.345   3.287   0.530  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.770   0.624   1.128  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.231  -0.636   1.472  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.194  -2.072   1.582  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.862  -0.800   1.722  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.259   0.835   0.862  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.159   0.332   1.988  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.871   0.438   3.179  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.379  -0.179   1.614  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.970  -0.497   2.370  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.982  -0.093   0.386  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -9.157  -0.415   0.232  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.158   0.503  -0.729  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.673   0.270  -0.501  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.454  -1.621   0.365  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.156  -0.309   0.664  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.523   0.415   0.051  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.153  -2.538   1.129  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.106  -1.859  -1.012  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1        2.432  -3.359  -1.163  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        1.094  -1.487  -2.114  0.00  0.00    +0.029 C 
BRANCH  23  29
ATOM     26  C   LIG    1        5.584   0.571  -1.387  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        5.644  -0.804  -1.340  0.00  0.00    +0.120 A 
ATOM     28  N   LIG    1        4.563  -1.600  -1.220  0.00  0.00    -0.239 NA
ATOM     29  C   LIG    1        3.360  -0.999  -1.151  0.00  0.00    +0.143 A 
ATOM     30  N   LIG    1        3.194   0.344  -1.200  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1        4.311   1.093  -1.325  0.00  0.00    +0.120 A 
BRANCH  26  32
ATOM     32  C   LIG    1        6.802   1.420  -1.555  0.00  0.00    +0.197 C 
BRANCH  32  34
ATOM     33  C   LIG    1        7.161   2.418   0.569  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1        6.723   2.612  -0.772  0.00  0.00    -0.378 OA
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 7