REMARK  Name = BDB049117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.954   0.102   0.277  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.715   0.176  -0.899  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        3.112   0.164  -0.850  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        3.772   0.084   0.381  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        3.025  -0.008   1.560  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.627   0.004   1.505  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        5.261   0.076   0.395  0.00  0.00    +0.143 A 
ATOM      8  N   LIG    1        5.869   0.650   1.509  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        5.329   1.095   2.234  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        7.237   0.752   1.678  0.00  0.00    +0.261 A 
ATOM     11  O   LIG    1        7.740   1.292   2.657  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        7.978   0.172   0.589  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1        9.355   0.019   0.316  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        9.451  -0.623  -0.903  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1        8.177  -0.855  -1.365  0.00  0.00    -0.335 N 
ATOM     16  C   LIG    1        7.838  -1.508  -2.608  0.00  0.00    +0.150 C 
ATOM     17  C   LIG    1        7.271  -0.371  -0.461  0.00  0.00    +0.148 A 
ATOM     18  N   LIG    1        5.924  -0.433  -0.607  0.00  0.00    -0.211 NA
ENDBRANCH   4   7
BRANCH   1  21
ATOM     19  C   LIG    1       -0.631   2.621  -0.145  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -1.270   1.272   0.036  0.00  0.00    -0.038 A 
ATOM     21  C   LIG    1       -0.510   0.109   0.225  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -1.222  -1.081   0.357  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -2.571  -1.193   0.319  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1       -3.301  -0.075   0.140  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -2.670   1.162  -0.017  0.00  0.00    +0.047 A 
BRANCH  24  26
ATOM     26  N   LIG    1       -4.701  -0.162   0.078  0.00  0.00    -0.312 N 
ATOM     27  C   LIG    1       -5.222  -1.541   0.084  0.00  0.00    +0.125 C 
ATOM     28  C   LIG    1       -6.743  -1.550  -0.264  0.00  0.00    +0.068 C 
ATOM     29  C   LIG    1       -6.950  -1.696  -1.775  0.00  0.00    +0.025 C 
ATOM     30  N   LIG    1       -7.513  -0.366   0.204  0.00  0.00    -0.308 NA
ATOM     31  H   LIG    1       -7.498   0.323  -0.550  0.00  0.00    +0.123 HD
ATOM     32  C   LIG    1       -6.830   0.248   1.361  0.00  0.00    +0.068 C 
ATOM     33  C   LIG    1       -7.687   1.394   1.895  0.00  0.00    +0.025 C 
ATOM     34  C   LIG    1       -5.403   0.758   1.000  0.00  0.00    +0.125 C 
ENDBRANCH  24  26
ENDBRANCH   1  21
TORSDOF 3