REMARK  Name = BDB057089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.589  -0.881   0.759  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.795  -0.163   0.710  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.776   0.954  -0.099  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.870   1.334  -0.310  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.780  -0.521   1.351  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.629  -0.516   0.073  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        1.808   0.117   1.113  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.437   0.583   0.627  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.374  -0.552  -0.031  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        0.525  -1.736  -0.419  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        1.848  -1.206  -0.965  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        3.633   0.377  -0.525  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.822   0.621   0.418  0.00  0.00    +0.018 C 
BRANCH  13  15
ATOM     14  C   LIG    1        6.529   1.089  -1.426  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1        5.859   1.609  -0.153  0.00  0.00    -0.016 C 
ATOM     16  C   LIG    1        6.926   1.908   0.904  0.00  0.00    +0.007 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.870   1.767  -0.466  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -3.580   2.971  -1.123  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -4.605   3.837  -1.543  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1       -5.936   3.486  -1.288  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -6.233   2.286  -0.645  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.204   1.430  -0.241  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.270   5.141  -2.223  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -4.064   6.151  -1.333  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -5.247   5.576  -3.067  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.135   5.070  -2.974  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -1.517  -1.954   1.762  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.741  -3.346   1.208  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -2.801  -3.628   0.334  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.005  -4.923  -0.147  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.159  -5.956   0.249  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.114  -5.697   1.133  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.911  -4.403   1.615  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8