REMARK  Name = BDB011506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.196  -0.560  -0.825  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.987  -1.482  -0.814  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        1.054  -2.577  -1.388  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.159  -1.052  -0.140  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -0.241   0.136   0.681  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.468   1.339   0.477  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1        0.285   2.430   1.354  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -0.582   2.372   2.445  0.00  0.00    -0.047 A 
ATOM      9  C   LIG    1       -1.271   1.190   2.667  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -0.743   3.556   3.348  0.00  0.00    +0.044 C 
ATOM     11  O   LIG    1        1.355   1.682  -0.507  0.00  0.00    -0.488 OA
ATOM     12  C   LIG    1       -1.097   0.102   1.804  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        1.698   0.715  -1.482  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        4.616  -0.926  -1.538  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        3.277  -1.194  -1.586  0.00  0.00    -0.300 N 
ATOM     16  H   LIG    1        3.028  -2.029  -2.112  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1        5.381  -1.627  -2.203  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        5.115   0.234  -0.640  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        6.540   0.625  -1.039  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        5.225   0.872   1.718  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        5.035  -0.211   0.767  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        5.731  -0.942   0.923  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   4  23
ATOM     23  C   LIG    1       -1.320  -1.969  -0.224  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.651  -1.325  -0.611  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.837  -1.510   0.176  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -5.024  -0.838  -0.216  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -6.203  -0.959   0.538  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.240  -1.758   1.675  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1       -5.109  -2.451   2.072  0.00  0.00    +0.016 A 
ATOM     30 BR   LIG    1       -7.836  -1.907   2.673  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1       -5.033  -0.046  -1.367  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1       -3.898   0.078  -2.162  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -3.928  -2.330   1.331  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1       -2.715  -0.567  -1.808  0.00  0.00    +0.125 A 
BRANCH  34  35
ATOM     35  O   LIG    1       -1.571  -0.521  -2.562  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1       -1.653   0.064  -3.856  0.00  0.00    +0.277 C 
ENDBRANCH  34  35
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6