REMARK  Name = BDB024600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.163   0.529  -1.559  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.372   1.018  -0.505  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.937   2.137   0.279  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.102   1.669   1.166  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.929   2.876   1.174  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.582   2.981   0.492  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.103   1.581   0.235  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.763   1.198   0.448  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.289   1.957   0.891  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.339   1.159   0.911  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.987  -0.122   0.522  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.356  -0.108   0.198  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.244  -1.077  -0.275  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.571  -0.686  -0.495  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.013   0.624  -0.267  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.329   0.873  -1.748  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.879  -1.277   0.459  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -1.481  -2.394   1.433  0.00  0.00    +0.043 C 
ATOM     19  C   LIG    1       -2.474  -3.569   1.371  0.00  0.00    +0.052 C 
ATOM     20  C   LIG    1       -3.679  -3.332   2.287  0.00  0.00    +0.024 C 
ATOM     21  N   LIG    1       -2.946  -3.881   0.015  0.00  0.00    -0.313 NA
ATOM     22  H   LIG    1       -3.910  -3.572  -0.116  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -2.107  -3.319  -1.036  0.00  0.00    +0.083 C 
ATOM     24  C   LIG    1       -2.091  -1.794  -0.975  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        5.298  -0.760  -3.519  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        4.513  -0.312  -2.413  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.721   1.600   1.300  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.714   1.610   0.156  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -3.400   2.222  -1.068  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.323   2.232  -2.114  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.575   1.643  -1.947  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.907   1.050  -0.731  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.986   1.039   0.318  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 4