REMARK  Name = BDB006657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.362   1.720  -1.907  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.900   0.572  -1.093  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.594   0.193  -0.770  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.173   0.534  -0.960  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.500  -0.567  -0.183  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.462  -1.444   0.406  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.304  -2.436   1.096  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.717  -0.921   0.000  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.031  -1.187   0.137  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.789  -0.276  -0.537  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.890  -0.705  -0.129  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.725   0.104  -0.814  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.105  -0.022  -0.770  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        4.910   0.911  -1.545  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.744  -1.002  -0.017  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.963  -1.147   0.039  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.843  -1.907   0.758  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.502  -2.961   1.591  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.511  -1.739   0.684  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.000   1.931  -0.394  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.066   3.026  -1.276  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.221   4.327  -0.792  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.310   4.550   0.580  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.502   6.152   1.175  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.243   3.483   1.471  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.087   2.181   0.988  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.657  -2.274   0.877  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -4.447  -3.197  -0.049  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -4.531  -1.743   2.013  0.00  0.00    +0.032 C 
ENDBRANCH   9  27
TORSDOF 3