REMARK  Name = BDB020605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.539  -0.394   0.166  0.00  0.00    +0.060 A 
ATOM      2  N   LIG    1       -2.366  -0.348  -1.244  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -1.123  -0.462  -1.869  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.288  -0.360  -3.233  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.665  -0.188  -3.477  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.019  -0.660  -1.054  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.118  -0.701   0.285  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.299  -0.190  -2.255  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -1.428  -0.555   0.944  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -1.406  -0.581   2.451  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.134  -0.959   1.058  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        2.066   0.040   0.941  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.851   0.874   0.406  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        1.266  -1.963   1.748  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        3.345  -0.004   1.614  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.434  -0.047   0.582  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.830   1.290   0.028  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1        4.247   2.323   0.345  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1        5.870   1.301  -0.866  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        6.122   2.213  -1.226  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        6.538   0.180  -1.295  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        7.640   0.381  -2.288  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1        6.173  -1.019  -0.818  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        5.095  -1.146   0.154  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        4.808  -2.556   0.593  0.00  0.00    +0.044 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  C   LIG    1       -3.954  -0.284   0.735  0.00  0.00    +0.195 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.580   1.105   0.568  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1       -5.897   1.261   0.098  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -6.472   2.530  -0.019  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -5.739   3.660   0.345  0.00  0.00    +0.018 A 
ATOM     31 BR   LIG    1       -6.516   5.378   0.189  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1       -4.441   3.532   0.830  0.00  0.00    +0.015 A 
ATOM     33  C   LIG    1       -3.868   2.262   0.946  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
BRANCH  26  35
ATOM     34  C   LIG    1       -4.659  -2.563   0.788  0.00  0.00    +0.195 C 
ATOM     35  O   LIG    1       -4.792  -1.298   0.152  0.00  0.00    -0.369 OA
ENDBRANCH  26  35
ENDBRANCH   1  26
TORSDOF 6