REMARK  Name = BDB023605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.680  -0.217  -2.960  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -4.680   0.692  -1.771  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -3.559   0.199  -0.844  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.112  -0.671   0.288  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -5.202  -1.236   0.241  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.270  -0.902   1.345  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -3.583  -1.594   2.015  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.083  -0.202   1.570  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -1.784   0.914   0.785  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -0.598   1.621   1.017  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        0.306   1.202   2.007  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1       -0.026   0.086   2.792  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.220  -0.608   2.584  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.783   1.377  -0.240  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -2.683  -0.657  -1.771  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -3.685  -1.289  -2.724  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.582   1.905   2.204  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.832   1.308   1.947  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        4.024   1.989   2.212  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        3.991   3.295   2.696  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.767   3.915   2.930  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.576   3.226   2.690  0.00  0.00    +0.012 A 
BRANCH  18  23
ATOM     23  O   LIG    1        2.975   0.023   1.478  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.509  -0.109   0.125  0.00  0.00    +0.266 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.281  -1.166  -0.637  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        2.838  -1.606  -1.897  0.00  0.00    +0.047 A 
ATOM     27 CL   LIG    1        1.393  -0.984  -2.620  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        3.557  -2.566  -2.616  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.732  -3.099  -2.089  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.190  -2.671  -0.847  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.473  -1.710  -0.128  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  11  17
BRANCH   1  33
ATOM     32  N   LIG    1       -6.627  -0.452  -4.506  0.00  0.00    -0.174 NA
ATOM     33  C   LIG    1       -5.725  -0.346  -3.788  0.00  0.00    +0.169 C 
ENDBRANCH   1  33
TORSDOF 5