REMARK  Name = BDB049659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.853  -0.632  -0.557  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.371   0.654  -0.343  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.750   0.700  -0.328  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.196  -0.168  -0.070  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.648   1.629  -0.167  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.570   1.846  -0.295  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.110   3.136  -0.569  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.998   4.214  -0.532  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1       -3.428   5.803  -0.872  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -5.344   4.019  -0.232  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.811   2.733   0.032  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.927   1.652  -0.004  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        3.352  -0.826  -0.249  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        2.820   0.182  -1.157  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        1.405  -0.219  -1.585  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.602  -0.856  -0.435  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        1.176  -0.469   0.935  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.656  -0.869   1.038  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.810  -0.904  -0.168  0.00  0.00    +0.084 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.585   0.083   0.720  0.00  0.00    +0.015 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.405   2.433   1.106  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        5.420   1.554   0.348  0.00  0.00    -0.002 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.597  -1.632  -1.335  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.543  -2.471  -0.504  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.176  -2.962   0.757  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.064  -3.740   1.502  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.322  -4.048   0.991  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.694  -3.583  -0.268  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.808  -2.803  -1.014  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7