REMARK  Name = BDB027593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.728  -1.751   1.223  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.152  -0.695   1.355  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.105   0.592   0.661  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.557   1.105   0.680  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        2.092   0.489   1.977  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.426  -0.879   2.024  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.491  -2.879   1.646  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.474  -1.172  -0.773  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -4.115  -0.305   0.278  0.00  0.00    -0.029 A 
ATOM     10  C   LIG    1       -4.916   0.898   0.697  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1       -2.893  -0.520   0.947  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -2.011  -1.519   0.525  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -2.345  -2.337  -0.552  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.562  -2.148  -1.208  0.00  0.00    +0.024 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -6.968  -0.920  -1.079  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1       -5.678  -1.104  -1.494  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1       -5.645  -1.361  -2.474  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -7.855  -0.725  -1.908  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -8.468  -0.694   0.850  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -7.285  -1.088   0.362  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1        2.268   0.612  -0.496  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        2.280  -0.394  -0.628  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.558   1.071  -0.687  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        4.387   0.215  -1.300  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1        5.649   0.606  -1.518  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1        6.120   1.861  -1.122  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        7.451   2.251  -1.361  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        8.309   1.370  -2.003  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        7.865   0.119  -2.405  0.00  0.00    +0.040 A 
ATOM     30  F   LIG    1        9.577   1.730  -2.235  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.186   2.662  -0.490  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        6.539  -0.251  -2.158  0.00  0.00    +0.031 A 
ATOM     33  N   LIG    1        3.914   2.288  -0.261  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5