REMARK  Name = BDB006616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.688  -0.436  -0.326  0.00  0.00    -0.209 N 
ATOM      2  C   LIG    1        1.347  -0.432  -0.062  0.00  0.00    +0.137 A 
ATOM      3  C   LIG    1        0.169  -1.194  -0.307  0.00  0.00    +0.271 C 
ATOM      4  N   LIG    1       -0.880  -0.501   0.374  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.358   0.715   1.075  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        0.105  -2.233  -0.940  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.075   0.639   0.740  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        2.295   1.255   0.992  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        2.589   2.450   1.817  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        3.284   0.599   0.369  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.218  -0.900   0.470  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.111  -0.256   1.249  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.439  -0.640   1.355  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.316   0.130   2.225  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.961  -1.730   0.665  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.128  -2.104   0.743  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -3.997  -2.454  -0.216  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.535  -3.618  -0.987  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.720  -2.038  -0.286  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   5  20
ATOM     20  C   LIG    1       -0.844   2.044   0.529  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -1.018   3.126   1.413  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.460   4.367   0.947  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.734   4.542  -0.406  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.280   6.069  -0.978  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.567   3.487  -1.299  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.124   2.245  -0.835  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  29
ATOM     27  C   LIG    1        5.617  -1.917  -1.806  0.00  0.00    +0.320 A 
ATOM     28  N   LIG    1        4.845  -1.136  -1.040  0.00  0.00    -0.176 NA
ATOM     29  C   LIG    1        3.501  -1.281  -1.152  0.00  0.00    +0.162 A 
ATOM     30  C   LIG    1        2.946  -2.179  -2.038  0.00  0.00    +0.068 A 
ATOM     31  C   LIG    1        3.833  -2.932  -2.774  0.00  0.00    +0.120 A 
ATOM     32  N   LIG    1        5.167  -2.826  -2.676  0.00  0.00    -0.203 NA
BRANCH  27  34
ATOM     33  C   LIG    1        7.419  -0.818  -0.815  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        6.989  -1.818  -1.729  0.00  0.00    -0.466 OA
ENDBRANCH  27  34
ENDBRANCH   1  29
TORSDOF 4