REMARK  Name = BDB024531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.645   0.606  -0.566  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.375   1.146  -0.842  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.400   2.358  -1.683  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.758   2.009  -3.138  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.113   3.175  -1.607  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.925   2.303  -1.950  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.902   1.105  -1.045  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.664   0.495  -0.734  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.586   0.818  -1.185  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.431  -0.018  -0.606  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.748  -0.903   0.212  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.598  -0.572   0.147  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.743  -1.076   0.763  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.970  -0.479   0.434  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.094   0.569  -0.493  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.691   1.232  -0.732  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.258  -2.018   0.983  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.344  -1.718   2.029  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.258  -2.951   2.055  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.557  -4.005   1.191  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -1.774  -3.199   0.163  0.00  0.00    +0.026 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.640  -2.615   1.527  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -5.042  -2.882   0.405  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -5.405  -1.958   2.426  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -4.959  -1.755   3.270  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        6.946  -1.254   0.038  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        5.648  -0.698  -0.171  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.913   0.028  -0.852  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.685   1.012   0.010  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -5.031   0.747   0.311  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.780   1.633   1.087  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.202   2.810   1.556  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.877   3.103   1.242  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.126   2.215   0.467  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 6