REMARK  Name = BDB016901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.197  -0.756   0.007  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.380   0.338  -0.634  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        0.954  -0.266  -0.552  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.970  -1.483   0.041  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1        2.230  -1.976   0.125  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        2.995  -1.045  -0.436  0.00  0.00    +0.135 A 
ATOM      7  N   LIG    1        2.235   0.046  -0.845  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1        2.601   0.908  -1.228  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -0.371  -1.859   0.419  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1       -0.680  -2.910   0.955  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -5.455  -2.716   1.713  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -4.675  -1.700   0.941  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -5.459  -0.625   0.261  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.685  -0.613   0.334  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.705   0.322  -0.426  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -5.390   1.412  -1.105  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -3.322   0.264  -0.500  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -2.593  -0.704   0.091  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -3.334  -1.706   0.843  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -0.436   1.679   0.075  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -0.429   2.864  -0.683  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.462   4.112  -0.055  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.495   4.189   1.335  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.535   5.726   2.104  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.491   3.028   2.104  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.457   1.779   1.478  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   6  27
ATOM     27  C   LIG    1        4.416  -1.016  -0.569  0.00  0.00    -0.005 C 
ATOM     28  C   LIG    1        5.329  -1.607   0.489  0.00  0.00    +0.066 C 
ATOM     29  C   LIG    1        6.729  -1.873  -0.052  0.00  0.00    +0.165 C 
ATOM     30  O   LIG    1        7.206  -0.714  -0.735  0.00  0.00    -0.375 OA
ATOM     31  C   LIG    1        6.457  -0.465  -1.924  0.00  0.00    +0.187 C 
ATOM     32  C   LIG    1        4.973  -0.514  -1.691  0.00  0.00    +0.008 C 
ENDBRANCH   6  27
TORSDOF 3