REMARK  Name = BDB055051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.632   0.591  -0.272  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.300  -0.845  -0.156  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.209  -1.135   0.071  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.763  -0.220   1.169  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.446   1.283   1.008  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.441   1.937   0.031  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.031   1.562   0.477  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.469   2.683   0.621  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.148  -1.594   0.877  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -1.455  -1.067   2.142  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.212  -1.801   3.060  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.662  -3.075   2.730  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -3.592  -3.977   3.861  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.363  -3.623   1.486  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.609  -2.888   0.567  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.101  -1.194  -1.169  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.320  -1.896  -1.084  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.169  -1.996  -2.188  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        5.649  -2.862  -2.049  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        3.825  -1.403  -3.397  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.625  -0.704  -3.500  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.771  -0.602  -2.396  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.932   1.003  -0.902  0.00  0.00    +0.102 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.390   0.837  -3.010  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.279   0.208  -2.180  0.00  0.00    +0.021 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.129   1.031   0.087  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -2.869   1.754   1.288  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -2.186   2.429   1.086  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  29
ATOM     29  C   LIG    1        1.599   1.911   2.423  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1        1.443   3.409   2.522  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1        2.166   4.252   2.019  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        0.407   3.768   3.304  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        0.383   4.745   3.230  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 9