REMARK  Name = BDB060955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.102   0.493  -0.464  0.00  0.00    -0.287 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.190   1.626  -0.231  0.00  0.00    +0.120 C 
BRANCH   2   6
ATOM      3  C   LIG    1        3.990   0.412   0.067  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        3.359   1.115   1.103  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        2.016   1.506   1.010  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.260   1.198  -0.125  0.00  0.00    -0.033 A 
ATOM      7  C   LIG    1        1.878   0.498  -1.167  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        3.220   0.113  -1.067  0.00  0.00    +0.023 A 
BRANCH   3   9
ATOM      9  N   LIG    1        5.340   0.004   0.114  0.00  0.00    -0.330 N 
BRANCH   9  11
ATOM     10  C   LIG    1        7.126  -1.111   1.418  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        5.928  -0.172   1.452  0.00  0.00    +0.102 C 
ENDBRANCH   9  11
BRANCH   9  12
ATOM     12  C   LIG    1        6.176   0.702  -0.884  0.00  0.00    +0.102 C 
ATOM     13  C   LIG    1        6.704  -0.281  -1.921  0.00  0.00    +0.024 C 
ENDBRANCH   9  12
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -1.242  -0.334   0.751  0.00  0.00    +0.120 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.130  -1.548   0.563  0.00  0.00    -0.033 A 
ATOM     16  C   LIG    1       -3.314  -1.689   1.301  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.138  -2.800   1.111  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.783  -3.782   0.189  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.604  -3.658  -0.544  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.780  -2.548  -0.357  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   1  21
ATOM     21  C   LIG    1       -2.392   0.932  -1.038  0.00  0.00    +0.164 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.318   1.659  -0.061  0.00  0.00    +0.177 C 
ATOM     23  O   LIG    1       -2.917   2.390   0.844  0.00  0.00    -0.291 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -4.793   1.487  -0.218  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -5.612   1.748   0.890  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -6.998   1.591   0.800  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -7.938   1.917   2.213  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -7.577   1.178  -0.404  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1       -9.280   0.960  -0.590  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -6.764   0.930  -1.514  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -5.377   1.086  -1.425  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 10