REMARK  Name = BDB024563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.528  -0.631   0.146  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.603   0.333   0.590  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.170   1.684   0.762  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.453   2.338  -0.601  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.318   2.589   1.648  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.906   2.662   1.109  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.341   1.276   0.988  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.944   1.084   1.103  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.043   2.022   1.288  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.180   1.355   1.348  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.956  -0.001   1.199  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.402  -0.190   1.058  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.197  -1.323   0.914  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.580  -1.123   0.779  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.177   0.149   0.763  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.746  -0.461   0.190  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.932  -2.685  -0.919  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.983  -1.746  -0.412  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.954  -1.057   1.254  0.00  0.00    +0.142 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.472  -1.505  -0.131  0.00  0.00    +0.073 C 
ATOM     21  N   LIG    1       -1.562  -2.461  -0.786  0.00  0.00    -0.312 NA
ATOM     22  H   LIG    1       -1.579  -3.345  -0.277  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -1.959  -2.715  -2.178  0.00  0.00    +0.081 C 
ATOM     24  C   LIG    1       -3.453  -2.525  -2.458  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -4.296  -2.919  -1.253  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -3.855  -2.172   0.012  0.00  0.00    +0.020 C 
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -2.519   1.994   1.573  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.447   1.952   0.379  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -3.001   2.331  -0.897  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.866   2.297  -1.991  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.191   1.901  -1.821  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.654   1.549  -0.555  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.790   1.580   0.541  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5