REMARK  Name = BDB015739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.364   0.357  -0.397  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -0.398  -0.633  -0.868  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -1.656  -0.316  -1.215  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.186   0.913  -1.187  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.380   1.896  -0.744  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.086   1.657  -0.325  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.955   3.265  -0.711  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.254   3.413  -0.386  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.869   4.655  -0.321  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -5.272   4.712   0.054  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.187   5.838  -0.588  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.668   6.966  -0.527  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.762   5.683  -0.979  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.201   4.468  -1.034  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.652  -0.001  -0.013  0.00  0.00    -0.321 N 
ATOM     16  H   LIG    1        1.740  -1.003  -0.198  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.030   0.261   1.385  0.00  0.00    +0.117 C 
ATOM     18  C   LIG    1        1.142  -0.515   2.367  0.00  0.00    +0.034 C 
BRANCH  17  22
ATOM     19  C   LIG    1        5.386  -3.283   1.918  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        5.089  -1.819   1.790  0.00  0.00    +0.039 A 
ATOM     21  N   LIG    1        3.789  -1.458   1.674  0.00  0.00    -0.255 NA
ATOM     22  C   LIG    1        3.495  -0.134   1.562  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1        4.487   0.844   1.538  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        5.817   0.456   1.661  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.125  -0.894   1.791  0.00  0.00    +0.023 A 
ENDBRANCH  17  22
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  26
ATOM     26  O   LIG    1       -2.498  -1.305  -1.707  0.00  0.00    -0.420 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.196  -2.593  -1.332  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -2.279  -2.984   0.007  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -2.635  -2.101   0.952  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -2.004  -4.294   0.383  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.656  -5.229  -0.590  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -1.593  -4.851  -1.935  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -1.873  -3.532  -2.324  0.00  0.00    -0.005 A 
ATOM     34  C   LIG    1       -1.793  -3.132  -3.768  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 6