REMARK  Name = BDB057818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.370  -2.558   2.908  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.337  -1.944   1.946  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.950  -1.092   0.918  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.850  -0.533   0.091  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -3.148  -0.835   0.275  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.615  -1.671   1.219  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.691  -2.201   2.038  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.123  -0.244  -0.662  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -5.376   0.296  -0.253  0.00  0.00    -0.009 A 
ATOM     10  C   LIG    1       -6.268   0.761  -1.242  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -5.928   0.748  -2.595  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.692   0.263  -2.995  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.804  -0.229  -2.039  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.755   0.370   1.221  0.00  0.00    +0.142 C 
ATOM     15  C   LIG    1       -6.805   1.412   1.602  0.00  0.00    +0.043 C 
BRANCH  14  16
ATOM     16  O   LIG    1       -6.244  -0.902   1.640  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1       -5.504  -1.524   1.483  0.00  0.00    +0.210 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  18
ATOM     18  N   LIG    1        0.409  -0.769   0.773  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        0.967  -1.616   0.742  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.717   0.104  -0.353  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.215   0.305  -0.415  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.861   1.102   0.538  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.247   1.281   0.494  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        5.027   0.667  -0.499  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        4.370  -0.136  -1.446  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        2.983  -0.318  -1.405  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.484   0.857  -0.544  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.142   1.251  -1.712  0.00  0.00    +0.119 A 
ATOM     29  N   LIG    1        8.480   1.438  -1.824  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        9.214   1.227  -0.712  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        8.673   0.839   0.501  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        7.293   0.653   0.581  0.00  0.00    +0.011 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 7