REMARK  Name = BDB009771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.177  -1.374   0.568  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.543   0.072   0.452  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.632   1.034   0.107  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.889   0.640   0.879  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        2.291  -0.809   0.576  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1        3.502  -1.141   1.478  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.124  -1.742   0.972  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        1.362  -2.815   1.531  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.684   0.333  -0.532  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.881   0.918  -0.084  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.917   1.195  -0.980  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.763   0.898  -2.332  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -5.040   1.238  -3.433  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.580   0.329  -2.797  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.544   0.050  -1.903  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        0.306   2.507   0.348  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -0.029   2.999   1.620  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -0.334   4.350   1.795  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -0.750   4.932   3.360  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -0.307   5.229   0.716  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        0.030   4.754  -0.550  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        0.335   3.404  -0.733  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   5  23
ATOM     23  C   LIG    1        2.610  -1.012  -0.912  0.00  0.00    +0.018 C 
ATOM     24  C   LIG    1        3.699  -0.207  -1.608  0.00  0.00    +0.102 C 
ATOM     25  C   LIG    1        3.845  -1.701  -1.447  0.00  0.00    +0.020 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.396   0.405  -2.923  0.00  0.00    +0.308 C 
ATOM     27  O   LIG    1        2.443   1.146  -3.089  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        4.280   0.071  -3.887  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        4.978  -0.527  -3.560  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   5  23
BRANCH   1  30
ATOM     30  C   LIG    1       -1.242  -2.371   0.944  0.00  0.00    +0.102 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -2.745  -3.124   2.897  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1       -1.903  -2.009   2.294  0.00  0.00    +0.021 C 
ENDBRANCH  30  32
BRANCH  30  33
ATOM     33  C   LIG    1       -2.253  -2.674  -0.183  0.00  0.00    +0.178 C 
BRANCH  33  34
ATOM     34  O   LIG    1       -2.812  -3.979  -0.035  0.00  0.00    -0.393 OA
ATOM     35  H   LIG    1       -3.403  -4.121  -0.794  0.00  0.00    +0.209 HD
ENDBRANCH  33  34
ENDBRANCH  30  33
ENDBRANCH   1  30
TORSDOF 9