REMARK  Name = BDB055567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.034   0.468  -1.245  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -1.066  -0.312  -1.009  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.163  -1.499  -1.308  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1       -2.147   0.542  -0.276  0.00  0.00    +0.164 C 
ATOM      5  N   LIG    1       -1.412   1.791  -0.203  0.00  0.00    -0.278 N 
ATOM      6  H   LIG    1       -1.677   2.581   0.367  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1       -0.139   1.698  -0.699  0.00  0.00    +0.310 C 
ATOM      8  O   LIG    1        0.682   2.596  -0.617  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -2.457   0.090   1.162  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -1.828  -1.011   1.769  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -2.130  -1.377   3.086  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.062  -0.647   3.816  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -3.430  -1.101   5.434  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.696   0.450   3.243  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.395   0.816   1.928  0.00  0.00    +0.008 A 
ENDBRANCH   4   9
BRANCH   4  16
ATOM     16  C   LIG    1       -3.404   0.646  -1.155  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1       -3.782   1.840  -1.797  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.934   1.898  -2.588  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -5.724   0.763  -2.750  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -7.140   0.839  -3.723  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -5.370  -0.431  -2.132  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.219  -0.490  -1.342  0.00  0.00    +0.008 A 
ENDBRANCH   4  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.276  -0.008  -1.820  0.00  0.00    +0.118 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.186  -0.621  -0.753  0.00  0.00    +0.019 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.500  -1.110  -1.361  0.00  0.00    +0.002 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.403  -1.836  -0.359  0.00  0.00    +0.000 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.831  -1.023   0.866  0.00  0.00    -0.000 C 
BRANCH  27  29
ATOM     28  C   LIG    1        6.107   0.955   1.764  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        5.607   0.246   0.514  0.00  0.00    -0.003 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8