REMARK  Name = BDB053767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.152   3.769   1.284  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        0.896   2.651   1.215  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1        0.288   1.576   0.654  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        0.822   0.284   0.429  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -0.209  -0.503  -0.086  0.00  0.00    +0.043 A 
ATOM      6  N   LIG    1       -1.289   0.340  -0.348  0.00  0.00    -0.310 N 
ATOM      7  C   LIG    1       -1.022   1.599   0.181  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -1.762   2.791   0.228  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.142   3.893   0.809  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        2.159  -0.181   0.769  0.00  0.00    +0.251 C 
ATOM     11  N   LIG    1        3.227   0.369   0.066  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.101   1.356  -1.013  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.420   1.570  -1.782  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.107   0.307  -2.098  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.490  -0.244  -2.696  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.360  -0.480  -0.871  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.591  -0.037   0.391  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.317  -1.072   1.601  0.00  0.00    -0.270 OA
ENDBRANCH   4  10
BRANCH   6  19
ATOM     19  C   LIG    1       -2.458   0.013  -1.087  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.336  -0.570  -2.353  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.483  -0.871  -3.089  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.745  -0.596  -2.561  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.864  -0.013  -1.298  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.722   0.298  -0.560  0.00  0.00    +0.026 A 
ENDBRANCH   6  19
BRANCH   1  26
ATOM     25  C   LIG    1        1.990   4.711   2.390  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1        0.692   4.916   1.842  0.00  0.00    -0.480 OA
ENDBRANCH   1  26
BRANCH   5  27
ATOM     27  C   LIG    1       -0.220  -2.000  -0.288  0.00  0.00    +0.090 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.393  -2.736   0.343  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -1.638  -2.759   1.735  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -0.740  -2.078   2.727  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -2.772  -3.435   2.211  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1       -3.043  -3.446   3.525  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -3.637  -4.112   1.358  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -3.379  -4.127  -0.005  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -2.265  -3.451  -0.505  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 5