REMARK  Name = BDB060031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.249   3.358  -1.507  0.00  0.00    -0.435 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.890   1.658   0.227  0.00  0.00    +0.096 A 
ATOM      3  N   LIG    1       -2.651   1.881  -0.273  0.00  0.00    -0.208 NA
ATOM      4  C   LIG    1       -2.486   3.053  -0.939  0.00  0.00    +0.262 A 
ATOM      5  C   LIG    1       -3.530   3.972  -1.142  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -4.762   3.743  -0.647  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -4.917   2.578   0.036  0.00  0.00    +0.141 A 
BRANCH   2  12
ATOM      8  C   LIG    1       -2.997  -2.624   2.559  0.00  0.00    +0.172 C 
ATOM      9  N   LIG    1       -3.652  -1.470   1.995  0.00  0.00    -0.274 N 
ATOM     10  N   LIG    1       -4.981  -1.321   2.144  0.00  0.00    -0.179 NA
ATOM     11  C   LIG    1       -5.239  -0.168   1.522  0.00  0.00    +0.144 A 
ATOM     12  C   LIG    1       -4.082   0.427   0.968  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -3.071  -0.456   1.296  0.00  0.00    +0.118 A 
ENDBRANCH   2  12
BRANCH   5  14
ATOM     14  N   LIG    1       -3.357   5.188  -1.804  0.00  0.00    -0.339 N 
ATOM     15  H   LIG    1       -2.884   5.073  -2.693  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1       -4.267   5.633  -1.888  0.00  0.00    +0.144 HD
ENDBRANCH   5  14
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.189   2.578  -1.117  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1        0.412   1.758  -2.071  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        1.515   0.976  -1.719  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        2.016   1.023  -0.410  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        1.434   1.885   0.529  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        0.333   2.666   0.175  0.00  0.00    +0.047 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.183   0.196   0.012  0.00  0.00    +0.248 C 
ATOM     24  N   LIG    1        3.230  -1.067  -0.551  0.00  0.00    -0.282 N 
ATOM     25  H   LIG    1        2.434  -1.352  -1.106  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        3.964   0.670   0.827  0.00  0.00    -0.270 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.225  -2.050  -0.368  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        5.392  -1.851   0.371  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        6.334  -2.878   0.499  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.118  -4.110  -0.112  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.959  -4.318  -0.855  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.019  -3.292  -0.983  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 6