REMARK  Name = BDB054834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.230  -0.043  -0.120  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.775   0.814  -0.502  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        2.173   0.471  -0.239  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.983   1.532  -0.995  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        2.007   2.075  -2.031  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.668   2.012  -1.314  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.028  -1.141   0.392  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.462   0.577   1.273  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.417  -0.223   1.833  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        3.490  -0.093   2.834  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.917   1.418   1.994  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.970  -1.440   1.277  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.076  -1.182   0.284  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        6.086  -0.242   0.550  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        7.116  -0.024  -0.367  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        7.153  -0.755  -1.553  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        8.422  -0.487  -2.683  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        6.170  -1.702  -1.827  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        5.137  -1.918  -0.910  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.695   0.435  -0.262  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.051   1.471   0.829  0.00  0.00    +0.018 C 
ATOM     22  C   LIG    1       -3.431   2.098   0.556  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -3.789   3.153   1.601  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.716   2.592   3.017  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -2.356   1.963   3.300  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -1.998   0.902   2.260  0.00  0.00    +0.006 C 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     27  C   LIG    1       -2.967  -1.379  -1.358  0.00  0.00    +0.230 C 
ATOM     28  N   LIG    1       -2.546  -0.755  -0.195  0.00  0.00    -0.302 N 
ATOM     29  H   LIG    1       -2.329  -1.375   0.578  0.00  0.00    +0.150 HD
ATOM     30  O   LIG    1       -2.831  -0.869  -2.467  0.00  0.00    -0.274 OA
BRANCH  27  31
ATOM     31  C   LIG    1       -3.597  -2.769  -1.105  0.00  0.00    +0.137 C 
ATOM     32  C   LIG    1       -2.496  -3.822  -1.214  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -5.821  -2.191  -1.914  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1       -4.678  -3.082  -2.061  0.00  0.00    -0.309 NA
ATOM     35  H   LIG    1       -4.984  -4.043  -1.925  0.00  0.00    +0.122 HD
ENDBRANCH  31  34
ENDBRANCH  27  31
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 8