REMARK  Name = BDB012539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.486  -0.742   0.621  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.597  -0.556  -0.406  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -1.709  -1.259   0.272  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.375  -1.738   1.500  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.501  -2.357   2.045  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -3.518  -2.228   1.100  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -4.929  -2.697   1.180  0.00  0.00    +0.063 C 
ATOM      8  N   LIG    1       -3.004  -1.555  -0.001  0.00  0.00    -0.348 N 
ATOM      9  C   LIG    1       -3.720  -1.214  -1.208  0.00  0.00    +0.149 C 
ATOM     10  C   LIG    1        0.002  -1.431   1.777  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        0.581  -1.746   2.803  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1        3.973   1.091  -2.427  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1        3.500   0.584  -1.102  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.507   0.555   0.002  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1        5.651   0.954  -0.199  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1        4.050   0.051   1.214  0.00  0.00    -0.316 N 
ATOM     17  C   LIG    1        4.965  -0.020   2.345  0.00  0.00    +0.152 C 
ATOM     18  C   LIG    1        2.742  -0.369   1.405  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        1.811  -0.335   0.432  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        2.248   0.156  -0.869  0.00  0.00    +0.033 A 
ENDBRANCH   1  19
BRANCH   2  21
ATOM     21  C   LIG    1       -0.933   0.899  -0.699  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -1.071   1.848   0.329  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.394   3.176   0.037  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.587   3.567  -1.285  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -1.987   5.200  -1.646  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -1.462   2.641  -2.318  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.140   1.313  -2.027  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
TORSDOF 2