REMARK  Name = BDB016586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.730   0.790   0.112  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1        0.663   1.705   0.770  0.00  0.00    +0.106 C 
ATOM      3  N   LIG    1       -0.690   1.597   0.192  0.00  0.00    -0.301 NA
ATOM      4  C   LIG    1       -0.639   1.827  -1.260  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1        0.348   0.919  -1.998  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        1.751   1.019  -1.404  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        3.049   1.078   0.679  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        3.256   2.078   0.745  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1        7.482  -2.360  -0.050  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        6.393  -1.415   0.119  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1        6.666  -0.088   0.432  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1        7.807   0.360   0.545  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1        5.472   0.787   0.615  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1        5.773   2.468   0.925  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1        4.215   0.325   0.527  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1        4.142  -1.137   0.274  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        5.130  -1.948   0.081  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -1.351   0.342   0.587  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.852   0.326   0.268  0.00  0.00    +0.020 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.518  -0.922   0.855  0.00  0.00    +0.036 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.989  -0.978   0.526  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1       -5.921  -0.308   1.330  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -7.281  -0.345   1.018  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.721  -1.048  -0.102  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.801  -1.712  -0.912  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.441  -1.676  -0.601  0.00  0.00    +0.003 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6