REMARK  Name = BDB054889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.507   0.296  -0.241  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.651  -0.798  -0.346  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.732  -0.647  -0.156  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.279   0.601   0.136  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.419   1.698   0.248  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.960   1.547   0.059  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.654   0.832   0.350  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        2.917   1.788   0.529  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        3.702  -0.054   0.141  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        4.892   0.504   0.589  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        4.799   1.293   1.210  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.595  -1.163  -0.364  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        6.192  -0.026   0.454  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        6.505  -1.132  -0.340  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        7.824  -1.592  -0.431  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        8.836  -0.942   0.268  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       10.457  -1.506   0.155  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        8.542   0.166   1.057  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        7.223   0.623   1.147  0.00  0.00    +0.025 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.667  -0.884  -0.700  0.00  0.00    +0.249 C 
ATOM     21  N   LIG    1       -2.905   0.230  -0.411  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -3.398   1.112  -0.307  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -3.260  -2.025  -0.884  0.00  0.00    -0.270 OA
BRANCH  20  31
ATOM     24  C   LIG    1       -5.627   1.071   1.129  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1       -5.847   0.229   0.004  0.00  0.00    +0.075 A 
ATOM     26  C   LIG    1       -7.204   0.381  -0.240  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -7.916  -0.280  -1.240  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -7.190  -1.165  -2.040  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.820  -1.349  -1.841  0.00  0.00    +0.014 A 
ATOM     30  O   LIG    1       -7.730   1.268   0.643  0.00  0.00    -0.353 OA
ATOM     31  C   LIG    1       -5.125  -0.646  -0.834  0.00  0.00    +0.051 A 
ATOM     32  N   LIG    1       -6.738   1.709   1.498  0.00  0.00    -0.062 NA
BRANCH  24  33
ATOM     33  N   LIG    1       -4.442   1.226   1.758  0.00  0.00    -0.340 N 
ATOM     34  H   LIG    1       -4.505   1.670   2.672  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -3.799   0.435   1.788  0.00  0.00    +0.144 HD
ENDBRANCH  24  33
ENDBRANCH  20  31
ENDBRANCH   1  21
TORSDOF 5