REMARK  Name = BDB041353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.704  -1.109   0.333  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        2.183  -1.722   1.567  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.997  -2.660   1.246  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.154  -2.009   0.580  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.270  -0.777  -0.130  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.699  -0.846  -0.722  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.304   1.018   0.330  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        5.885   0.499  -0.848  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        4.720  -0.195  -0.814  0.00  0.00    +0.151 A 
ATOM     10 CL   LIG    1        4.396  -0.901  -2.358  0.00  0.00    -0.060 Cl
ATOM     11  C   LIG    1        3.907  -0.408   0.324  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        4.423   0.144   1.509  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.620   0.863   1.522  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.455   2.471  -1.168  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.160   1.886  -0.955  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.706   1.359  -1.697  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.592   1.783   0.297  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.078   2.258   1.317  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.241  -1.730   1.535  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.520  -1.277   0.872  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.119  -0.067   1.224  0.00  0.00    +0.132 A 
ATOM     22  F   LIG    1       -2.538   0.708   2.153  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.315   0.371   0.634  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.888   1.691   1.071  0.00  0.00    +0.118 C 
ATOM     25  C   LIG    1       -6.173   2.118   0.404  0.00  0.00    +0.170 C 
ATOM     26  C   LIG    1       -6.789   1.244  -0.614  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -6.197   0.035  -0.962  0.00  0.00    +0.082 A 
ATOM     28  N   LIG    1       -6.748  -0.787  -1.896  0.00  0.00    -0.254 NA
ATOM     29  C   LIG    1       -7.899  -0.395  -2.487  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -8.547   0.791  -2.195  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.981   1.626  -1.240  0.00  0.00    +0.015 A 
ATOM     32  O   LIG    1       -6.717   3.183   0.693  0.00  0.00    -0.292 OA
ATOM     33  C   LIG    1       -4.945  -0.420  -0.340  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1       -4.341  -1.643  -0.689  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -3.149  -2.068  -0.093  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4