REMARK  Name = BDB034741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.932  -4.622  -0.356  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.519  -3.255  -0.485  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.257  -2.755  -0.145  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.240  -1.391  -0.435  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.879  -0.615  -0.200  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.014  -1.232   0.345  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -1.981  -2.623   0.620  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        1.497  -1.045  -0.954  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -0.840  -3.399   0.381  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.305  -2.205  -1.002  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.454  -2.277  -1.409  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.221  -0.541   0.599  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.635  -0.823   1.487  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.653   0.742   0.187  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1       -4.395   1.560   1.052  0.00  0.00    +0.080 A 
ATOM     16 CL   LIG    1       -4.822   1.041   2.640  0.00  0.00    -0.080 Cl
ATOM     17  C   LIG    1       -4.788   2.816   0.613  0.00  0.00    +0.133 A 
ATOM     18  N   LIG    1       -4.505   3.309  -0.615  0.00  0.00    -0.247 NA
ATOM     19  C   LIG    1       -3.805   2.505  -1.442  0.00  0.00    +0.108 A 
ATOM     20 BR   LIG    1       -3.404   3.162  -3.175  0.00  0.00    -0.029 Br
ATOM     21  C   LIG    1       -3.369   1.234  -1.092  0.00  0.00    +0.060 A 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  22
ATOM     22  C   LIG    1        1.898   0.250  -1.449  0.00  0.00    +0.130 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.901   0.975  -0.543  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.312   1.707   0.681  0.00  0.00    +0.062 C 
ATOM     25  C   LIG    1        1.399   2.867   0.276  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1        3.450   2.240   1.558  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1        1.539   0.818   1.483  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1        2.050  -0.004   1.599  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 6