REMARK  Name = BDB000206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.486  -0.549  -0.865  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.083  -1.000  -0.417  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        0.419  -0.325   0.371  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.569  -2.135  -1.045  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        1.491  -3.221  -1.367  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        1.384  -4.134  -0.136  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1       -0.029  -3.883   0.420  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1        2.912  -2.822  -1.744  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1       -0.622  -2.797  -0.486  0.00  0.00    +0.162 C 
ATOM     10  C   LIG    1        3.450  -1.727  -0.840  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        3.959   1.387  -0.332  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1        2.939   0.528  -0.002  0.00  0.00    -0.303 N 
ATOM     13  H   LIG    1        2.426   0.730   0.858  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        4.610   1.286  -1.367  0.00  0.00    -0.274 OA
BRANCH  11  16
ATOM     15  C   LIG    1        5.571   3.083   0.643  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        4.155   2.524   0.697  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  N   LIG    1        3.832   2.042   2.059  0.00  0.00    -0.320 NA
ATOM     18  H   LIG    1        3.971   2.808   2.719  0.00  0.00    +0.119 HD
ATOM     19  H   LIG    1        4.516   1.330   2.320  0.00  0.00    +0.119 HD
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1       -1.889  -2.132   0.104  0.00  0.00    +0.234 C 
ATOM     21  N   LIG    1       -2.094  -0.822  -0.253  0.00  0.00    -0.303 N 
ATOM     22  H   LIG    1       -1.230  -0.288  -0.289  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -2.721  -2.798   0.722  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.232  -0.076   0.261  0.00  0.00    +0.134 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.924   0.444   1.664  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1       -3.480  -0.194   2.785  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -3.199   0.258   4.075  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.352   1.348   4.264  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.780   1.983   3.163  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.060   1.532   1.872  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -3.696   1.026  -0.695  0.00  0.00    -0.023 A 
ATOM     32  C   LIG    1       -2.969   1.409  -1.835  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1       -3.437   2.423  -2.676  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.637   3.070  -2.393  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -5.374   2.704  -1.271  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -4.909   1.690  -0.430  0.00  0.00    +0.006 A 
ENDBRANCH  24  31
ENDBRANCH  21  24
ENDBRANCH   9  20
TORSDOF 7