REMARK  Name = BDB024581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.178  -1.172   0.581  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.349  -0.038   0.524  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.931   1.317   0.685  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.789   1.706  -0.533  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.907   2.444   0.897  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.775   1.979   1.784  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.115   0.820   1.098  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.711   0.669   1.081  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.243   1.500   1.607  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.406   0.944   1.335  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.235  -0.256   0.655  0.00  0.00    -0.322 N 
ATOM     12  C   LIG    1        0.123  -0.433   0.470  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        0.897  -1.412  -0.156  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.291  -1.262  -0.130  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.916  -0.173   0.490  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.820  -2.342   0.507  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.315  -1.147   0.239  0.00  0.00    +0.120 C 
ATOM     18  C   LIG    1       -2.650  -1.070  -1.266  0.00  0.00    +0.154 C 
ATOM     19  C   LIG    1       -3.930  -1.907  -1.507  0.00  0.00    +0.114 C 
ATOM     20  N   LIG    1       -3.816  -3.290  -1.021  0.00  0.00    -0.313 NA
ATOM     21  H   LIG    1       -4.687  -3.791  -1.192  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.462  -3.368   0.394  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1       -2.176  -2.601   0.710  0.00  0.00    +0.043 C 
BRANCH  18  24
ATOM     24  O   LIG    1       -1.565  -1.587  -2.049  0.00  0.00    -0.376 OA
ATOM     25  C   LIG    1       -1.536  -1.083  -3.376  0.00  0.00    +0.194 C 
ENDBRANCH  18  24
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        7.376  -1.961   0.876  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        6.492  -0.843   0.783  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.725   1.547   1.728  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.576   1.998   0.558  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -3.043   2.825  -0.442  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.831   3.235  -1.518  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.163   2.835  -1.600  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.711   2.031  -0.602  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.925   1.619   0.475  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 5