REMARK  Name = BDB062516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.224  -1.649  -0.825  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.283  -0.864  -0.195  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1       -0.620  -0.248   0.539  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.985  -2.568  -1.599  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -3.494   2.243   0.295  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -2.697   1.233  -0.119  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -3.177  -0.120  -0.127  0.00  0.00    +0.062 A 
ATOM      8  N   LIG    1       -4.516  -0.328   0.229  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1       -4.820  -1.676   0.070  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -3.656  -2.299  -0.355  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -5.335   0.722   0.660  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1       -2.604  -1.345  -0.437  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -4.857   1.975   0.713  0.00  0.00    +0.064 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -6.122  -2.289   0.305  0.00  0.00    +0.177 C 
ATOM     15  O   LIG    1       -7.108  -1.672   0.707  0.00  0.00    -0.291 OA
ATOM     16  C   LIG    1       -6.243  -3.771   0.034  0.00  0.00    +0.093 C 
ENDBRANCH   9  14
BRANCH   5  18
ATOM     17  C   LIG    1       -1.862   3.969  -0.004  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.179   3.578   0.365  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        1.117  -0.863  -0.377  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1        1.858   0.015   0.431  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1        1.179   0.785   1.301  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        3.252   0.115   0.335  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        3.904  -0.701  -0.600  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        3.185  -1.587  -1.422  0.00  0.00    -0.020 A 
ATOM     25  C   LIG    1        1.788  -1.657  -1.306  0.00  0.00    +0.032 A 
BRANCH  22  26
ATOM     26  C   LIG    1        3.999   1.033   1.183  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.246   1.553   0.896  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        5.577   2.366   1.942  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        6.790   3.132   2.099  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        4.632   2.423   2.895  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        3.674   1.615   2.433  0.00  0.00    +0.143 A 
ENDBRANCH  22  26
BRANCH  24  32
ATOM     32  C   LIG    1        3.915  -2.444  -2.423  0.00  0.00    +0.191 C 
BRANCH  32  33
ATOM     33  O   LIG    1        4.865  -3.267  -1.761  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1        4.438  -3.605  -0.954  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  24  32
ENDBRANCH   2  19
TORSDOF 7