REMARK  Name = BDB057246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.347   0.214  -2.236  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1        0.952  -0.213  -3.435  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        2.338  -0.461  -3.431  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        3.128  -0.260  -2.296  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.552   0.212  -1.119  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.172   0.454  -1.109  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.326   0.446   0.091  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1        2.735   0.635   1.340  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        3.744   0.823   2.147  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1        3.942   1.101   3.581  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1        5.420   1.571   3.603  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        6.074   0.980   2.340  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1        4.929   0.756   1.486  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1        4.711   0.525   0.181  0.00  0.00    +0.115 A 
ENDBRANCH   5   7
BRANCH   2  15
ATOM     15  N   LIG    1        0.301  -0.421  -4.660  0.00  0.00    -0.336 N 
ATOM     16  C   LIG    1       -0.299  -1.746  -4.792  0.00  0.00    +0.129 C 
ATOM     17  C   LIG    1       -0.465   0.696  -5.202  0.00  0.00    +0.129 C 
ENDBRANCH   2  15
BRANCH   1  18
ATOM     18  C   LIG    1       -1.136   0.470  -2.105  0.00  0.00    +0.141 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.934   0.482  -0.432  0.00  0.00    +0.244 C 
ATOM     20  N   LIG    1       -1.657   0.122  -0.797  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -1.211  -0.647  -0.315  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.679   1.143  -1.146  0.00  0.00    -0.270 OA
BRANCH  19  25
ATOM     23  C   LIG    1       -5.251  -0.682   2.315  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -4.768  -0.217   1.089  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1       -3.397  -0.014   0.892  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -2.504  -0.256   1.942  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -2.983  -0.719   3.168  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.352  -0.936   3.353  0.00  0.00    +0.045 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -7.156  -1.281   3.607  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.607  -0.848   2.369  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  19  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6