REMARK  Name = BDB052449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.442   0.229   0.649  0.00  0.00    +0.191 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.180   0.627  -0.812  0.00  0.00    +0.240 C 
ATOM      3  N   LIG    1       -1.233   1.252  -1.507  0.00  0.00    -0.275 N 
ATOM      4  C   LIG    1       -2.437   1.985  -0.955  0.00  0.00    +0.115 C 
ATOM      5  O   LIG    1        0.918   0.454  -1.369  0.00  0.00    -0.273 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -0.939   1.356  -2.937  0.00  0.00    +0.174 C 
ATOM      7  C   LIG    1       -2.180   1.667  -3.924  0.00  0.00    +0.025 C 
BRANCH   6   8
ATOM      8  C   LIG    1        0.115   2.469  -3.113  0.00  0.00    +0.273 C 
ATOM      9  O   LIG    1        0.122   3.583  -2.596  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1        1.227   2.221  -4.052  0.00  0.00    -0.087 NA
ENDBRANCH   6   8
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  12
ATOM     11  C   LIG    1       -1.711  -1.735   0.514  0.00  0.00    +0.255 C 
ATOM     12  N   LIG    1       -0.471  -1.242   0.672  0.00  0.00    -0.203 NA
ATOM     13  O   LIG    1       -2.734  -1.198   0.963  0.00  0.00    -0.272 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -1.812  -3.104  -0.242  0.00  0.00    +0.192 C 
ATOM     15  C   LIG    1       -1.851  -4.348   0.762  0.00  0.00    +0.027 C 
BRANCH  14  18
ATOM     16  C   LIG    1       -0.015  -2.930  -3.531  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -0.880  -2.614  -2.288  0.00  0.00    +0.242 C 
ATOM     18  N   LIG    1       -0.807  -3.427  -1.257  0.00  0.00    -0.204 NA
ATOM     19  O   LIG    1       -1.527  -1.601  -2.521  0.00  0.00    -0.273 OA
ENDBRANCH  14  18
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   1  20
ATOM     20  C   LIG    1        0.667   0.699   1.504  0.00  0.00    +0.027 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.810   1.168   2.422  0.00  0.00    +0.028 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.950   1.573   3.377  0.00  0.00    +0.129 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.938   1.883   4.231  0.00  0.00    -0.234 NA
ATOM     24  C   LIG    1        3.995   1.228   5.346  0.00  0.00    +0.284 C 
ATOM     25  N   LIG    1        3.040   0.197   5.759  0.00  0.00    -0.104 NA
ATOM     26  N   LIG    1        5.085   1.551   6.266  0.00  0.00    -0.104 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 10