REMARK  Name = BDB018244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.241   0.295  -0.226  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1       -0.949   0.024   0.414  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1       -1.680   1.182   0.379  0.00  0.00    -0.264 N 
ATOM      4  N   LIG    1       -1.033   2.196  -0.238  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        0.133   1.651  -0.601  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        2.733  -0.237  -0.314  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1        1.320  -0.628  -0.453  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        1.060  -1.901  -0.818  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1        2.054  -2.832  -1.068  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        1.662  -4.174  -1.470  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.400  -2.516  -0.971  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1        4.327  -3.290  -1.194  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.711  -1.125  -0.561  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1        2.918   1.066   0.095  0.00  0.00    -0.489 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.069   2.742   1.318  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1        4.229   1.588   0.330  0.00  0.00    +0.167 C 
ATOM     17  C   LIG    1        4.829   2.098  -0.976  0.00  0.00    +0.051 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -3.012   1.416   0.953  0.00  0.00    +0.134 C 
ATOM     19  C   LIG    1       -2.919   1.534   2.477  0.00  0.00    +0.038 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -4.015   0.398   0.420  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1       -4.440   0.503  -0.917  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.348  -0.409  -1.457  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.846  -1.444  -0.670  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.433  -1.567   0.654  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.524  -0.656   1.197  0.00  0.00    +0.006 A 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5