REMARK  Name = BDB018793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.448  -0.456   0.810  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.087  -0.629   0.632  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.230  -0.528  -0.482  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.074  -0.872  -0.100  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.124  -0.855  -1.011  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1        1.868  -0.513  -2.336  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.574  -0.153  -2.722  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.135  -1.294   1.333  0.00  0.00    +0.060 C 
ATOM      9  C   LIG    1       -0.479  -0.154  -1.795  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.272  -0.954   1.814  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.930  -0.506   1.950  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1       -4.799  -0.521  -0.125  0.00  0.00    -0.258 N 
ATOM     13  C   LIG    1       -3.361  -0.185  -0.390  0.00  0.00    +0.170 C 
ATOM     14  C   LIG    1       -3.401   1.308  -0.717  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -4.501   1.833   0.190  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -5.547   0.728   0.164  0.00  0.00    +0.117 C 
BRANCH  12  18
ATOM     17  N   LIG    1       -5.620  -2.819   0.399  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -5.238  -1.751   0.173  0.00  0.00    +0.170 C 
ENDBRANCH  12  18
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  O   LIG    1        3.390  -1.248  -0.668  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.149  -0.379   0.086  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        3.968   1.007   0.133  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        4.808   1.794   0.924  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.834   1.202   1.660  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.026  -0.177   1.604  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.188  -0.965   0.814  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 4