REMARK  Name = BDB014285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.044  -0.243   0.565  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        3.980   0.616   0.276  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1        4.204   1.909  -0.172  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        2.944   2.515  -0.368  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        1.960   1.581  -0.073  0.00  0.00    +0.105 A 
ATOM      6  N   LIG    1        5.444   2.421  -0.357  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        6.459   1.579  -0.072  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        2.618   0.451   0.360  0.00  0.00    -0.349 N 
ATOM      9  H   LIG    1        2.171  -0.390   0.709  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        6.326   0.274   0.379  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        0.523   1.761  -0.104  0.00  0.00    +0.263 C 
ATOM     12  N   LIG    1       -0.268   0.654  -0.430  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1       -1.718   0.796  -0.261  0.00  0.00    +0.116 C 
ATOM     14  C   LIG    1       -2.428  -0.568  -0.254  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -2.165  -1.343  -1.560  0.00  0.00    +0.011 C 
ATOM     16  C   LIG    1       -0.868  -0.919  -2.253  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        0.197  -0.462  -1.260  0.00  0.00    +0.108 C 
ATOM     18  O   LIG    1        0.013   2.846   0.170  0.00  0.00    -0.268 OA
BRANCH  14  19
ATOM     19  C   LIG    1       -3.912  -0.465   0.044  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -4.760   0.360  -0.712  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -6.123   0.436  -0.423  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.659  -0.313   0.622  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.832  -1.140   1.377  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.468  -1.218   1.090  0.00  0.00    +0.004 A 
ENDBRANCH  14  19
ENDBRANCH   5  11
BRANCH   1  26
ATOM     25  O   LIG    1        3.669  -2.102   1.177  0.00  0.00    -0.245 OA
ATOM     26  C   LIG    1        4.776  -1.614   1.034  0.00  0.00    +0.339 C 
BRANCH  26  27
ATOM     27  O   LIG    1        5.899  -2.302   1.296  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        5.586  -3.180   1.600  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 4