REMARK  Name = BDB052822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.568  -0.839   0.779  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.759  -2.093   0.128  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.503  -2.624  -0.151  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.630  -3.908  -0.724  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.525  -4.617  -1.065  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.783  -4.086  -0.822  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.457  -1.712   0.313  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1        1.912  -2.834  -0.217  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.799  -0.634   0.910  0.00  0.00    +0.219 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.817   0.059   2.528  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.608   0.023   1.317  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.350   0.776   0.411  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.326   1.726   0.943  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.543   2.931   0.011  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        3.922   2.589  -1.371  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        4.939   2.566  -1.452  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.387   1.283  -1.790  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.122   0.834  -1.038  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.877  -1.840   0.170  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.735  -1.424   1.200  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -5.119  -1.543   1.050  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -5.642  -2.067  -0.125  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -6.969  -2.177  -0.267  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.807  -2.474  -1.158  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -3.422  -2.360  -1.014  0.00  0.00    +0.029 A 
ENDBRANCH   7  19
BRANCH   9  26
ATOM     26  O   LIG    1       -1.506   0.367   1.453  0.00  0.00    -0.439 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.079   1.664   1.328  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1       -1.191   2.325   0.105  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -0.792   3.658   0.004  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -0.298   4.325   1.127  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.208   3.663   2.352  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -0.609   2.332   2.457  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 4