REMARK  Name = BDB013334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.546   0.533   0.017  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.550  -0.463   0.087  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.991   0.104   0.214  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.989   1.472   0.901  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -1.043   2.464   0.204  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -1.084   3.776   1.021  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.378   1.897   0.230  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        1.339   2.659   0.358  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.492  -1.441  -1.094  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.675  -2.816  -0.871  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -0.642  -3.720  -1.935  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.427  -3.257  -3.231  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.386  -4.370  -4.542  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.245  -1.898  -3.472  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.280  -0.993  -2.409  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.941  -0.857   0.928  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -2.754  -1.220   2.272  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -3.633  -2.108   2.893  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -3.385  -2.542   4.540  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -4.707  -2.648   2.191  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.903  -2.299   0.857  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.027  -1.410   0.229  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.938  -0.018   0.145  0.00  0.00    +0.105 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.834   0.531  -0.987  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        3.688  -0.545  -1.647  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        2.501   0.180   1.595  0.00  0.00    +0.135 C 
BRANCH  26  28
ATOM     27  C   LIG    1        5.062   0.299   1.651  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1        3.822  -0.551   1.888  0.00  0.00    +0.030 C 
ENDBRANCH  26  28
BRANCH  26  29
ATOM     29  O   LIG    1        1.527  -0.353   2.520  0.00  0.00    -0.390 OA
ATOM     30  H   LIG    1        1.790  -0.046   3.406  0.00  0.00    +0.210 HD
ENDBRANCH  26  29
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1       -1.468   2.743  -1.252  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -0.544   3.685  -1.979  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1       -0.602   4.902  -1.971  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        0.403   3.038  -2.683  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        0.978   3.757  -3.020  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 10