REMARK  Name = BDB052240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.116  -0.376  -0.605  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        3.822  -0.478  -0.057  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.655  -1.126   1.162  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        2.308  -1.053   1.407  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.845  -1.414   2.226  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        1.695  -0.389   0.367  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        4.708  -1.687   1.889  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.987  -1.577   1.334  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        2.601  -0.028  -0.526  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        6.192  -0.935   0.111  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.255  -0.117   0.291  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -0.675  -0.725   1.142  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -2.041  -0.432   1.032  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -2.523   0.460   0.061  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -1.587   1.078  -0.777  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -0.221   0.786  -0.668  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -4.004   0.777  -0.003  0.00  0.00    +0.084 C 
ATOM     18  N   LIG    1       -4.851  -0.426   0.140  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1       -4.527  -1.110  -0.546  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -6.199   0.006  -0.239  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -6.018   1.103  -1.276  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -4.521   1.365  -1.315  0.00  0.00    +0.025 C 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1        4.302   0.816  -2.564  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        4.447   1.272  -3.452  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        3.361   0.736  -2.184  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.375   0.296  -1.900  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        6.507   0.384  -2.362  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3