REMARK  Name = BDB002490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.862  -1.727   0.212  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.942  -0.679   1.139  0.00  0.00    +0.284 A 
ATOM      3  O   LIG    1       -0.247  -0.617   2.150  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -1.904   0.321   0.753  0.00  0.00    +0.196 A 
ATOM      5  N   LIG    1       -2.283   1.446   1.404  0.00  0.00    -0.122 NA
ATOM      6  N   LIG    1       -3.194   2.049   0.648  0.00  0.00    -0.058 NA
ATOM      7  N   LIG    1       -3.390   1.315  -0.493  0.00  0.00    -0.194 N 
ATOM      8  C   LIG    1       -2.575   0.190  -0.441  0.00  0.00    +0.190 A 
ATOM      9  N   LIG    1       -2.439  -0.817  -1.345  0.00  0.00    -0.216 NA
ATOM     10  C   LIG    1       -1.583  -1.724  -0.979  0.00  0.00    +0.205 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -4.307   1.753  -1.489  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -4.512   1.028  -2.671  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -5.419   1.496  -3.624  0.00  0.00    +0.043 A 
ATOM     14 CL   LIG    1       -5.670   0.602  -5.075  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1       -6.128   2.678  -3.417  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.929   3.404  -2.245  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -5.024   2.946  -1.284  0.00  0.00    +0.028 A 
ENDBRANCH   7  11
BRANCH   1  18
ATOM     18  C   LIG    1        0.097  -2.787   0.475  0.00  0.00    +0.222 C 
BRANCH  18  21
ATOM     19  N   LIG    1        2.319  -1.844   0.867  0.00  0.00    -0.303 N 
ATOM     20  H   LIG    1        1.965  -1.596   1.792  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        1.443  -2.332  -0.073  0.00  0.00    +0.233 C 
ATOM     22  O   LIG    1        1.681  -2.332  -1.278  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.575  -1.230   0.463  0.00  0.00    +0.225 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.291  -0.618   1.659  0.00  0.00    +0.324 C 
ATOM     25  O   LIG    1        3.940  -0.763   2.827  0.00  0.00    -0.249 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.366   0.104   1.242  0.00  0.00    -0.464 OA
BRANCH  26  28
ATOM     27  C   LIG    1        7.225  -0.068   2.780  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        6.091   0.801   2.267  0.00  0.00    +0.229 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 7