REMARK  Name = BDB001500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.714  -1.002   3.935  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -0.598  -0.554   4.838  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.092  -1.199   3.657  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -2.921  -1.635   4.672  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1       -2.475  -1.830   5.921  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -4.235  -1.850   4.345  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -4.733  -1.658   3.106  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.873  -1.227   2.168  0.00  0.00    +0.221 A 
ATOM      9  N   LIG    1       -2.574  -1.000   2.414  0.00  0.00    -0.196 NA
BRANCH   8  10
ATOM     10  N   LIG    1       -4.404  -1.064   0.892  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.371  -1.353   0.883  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -3.883  -0.542  -0.298  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -4.558  -0.802  -1.502  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -4.054  -0.356  -2.728  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -2.863   0.353  -2.764  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -2.173   0.629  -1.592  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -2.682   0.176  -0.369  0.00  0.00    +0.027 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -2.396   0.762  -3.977  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -1.531   1.187  -3.850  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   3
BRANCH   1  23
ATOM     20  C   LIG    1        2.360   0.018   1.209  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.406   0.462   2.534  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        1.389   0.110   3.429  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        0.308  -0.682   3.017  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        0.314  -1.173   1.704  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        1.324  -0.826   0.802  0.00  0.00    +0.015 A 
BRANCH  20  27
ATOM     26  O   LIG    1        4.563   0.617   0.702  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        3.431   0.451   0.267  0.00  0.00    +0.248 C 
ATOM     28  N   LIG    1        3.000   0.669  -1.028  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1        2.003   0.612  -1.204  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1        3.767   1.062  -2.150  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1        3.097   1.318  -3.362  0.00  0.00    +0.062 A 
ATOM     32 CL   LIG    1        1.373   1.172  -3.478  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1        3.801   1.703  -4.507  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1        5.187   1.835  -4.455  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1        5.862   1.582  -3.263  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1        5.157   1.196  -2.117  0.00  0.00    +0.025 A 
ENDBRANCH  28  30
ENDBRANCH  20  27
ENDBRANCH   1  23
TORSDOF 7