REMARK  Name = BDB056651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.581   0.168  -0.363  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        0.463  -0.813   0.020  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.848  -0.188   0.352  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.682   1.012   1.283  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        0.670   2.065   0.803  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        1.377   3.136  -0.061  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.491   1.520  -0.046  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -1.337   2.326  -0.451  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.024  -1.777   1.123  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.234  -3.158   0.944  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -0.118  -4.075   1.939  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.677  -3.622   3.129  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -1.111  -4.748   4.354  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.885  -2.262   3.332  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.535  -1.346   2.335  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.767   0.121  -0.830  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.306   0.390  -2.127  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.205   0.658  -3.163  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        2.605   0.988  -4.742  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.576   0.668  -2.929  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.053   0.410  -1.647  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.157   0.141  -0.610  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.737  -0.252  -1.246  0.00  0.00    +0.107 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.122  -0.520  -0.514  0.00  0.00    +0.079 C 
ATOM     25  C   LIG    1       -3.331  -1.971  -0.069  0.00  0.00    +0.043 C 
ATOM     26  C   LIG    1       -3.415   0.408   0.672  0.00  0.00    +0.043 C 
BRANCH  24  27
ATOM     27  O   LIG    1       -4.185  -0.261  -1.460  0.00  0.00    -0.387 OA
ATOM     28  H   LIG    1       -4.161   0.690  -1.675  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
BRANCH  23  30
ATOM     29  C   LIG    1       -2.338  -1.482  -3.454  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -1.352  -1.326  -2.302  0.00  0.00    +0.022 C 
ENDBRANCH  23  30
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1        0.009   2.768   2.020  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1        0.988   3.502   2.902  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1        1.709   2.948   3.718  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        1.021   4.835   2.693  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        0.401   5.156   2.010  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 9