REMARK  Name = BDB007543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.050  -0.422  -1.408  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.242  -1.091  -0.398  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.408  -2.104   0.014  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.559  -2.565   0.902  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.433  -0.831   0.450  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.628  -0.458  -0.188  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        4.781  -0.170   0.549  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        4.699  -0.309   1.948  0.00  0.00    +0.144 A 
ATOM      9  F   LIG    1        5.788  -0.068   2.696  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1        3.517  -0.665   2.596  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        2.373  -0.921   1.846  0.00  0.00    +0.016 A 
BRANCH   7  12
ATOM     12  N   LIG    1        6.017   0.124  -0.033  0.00  0.00    -0.339 N 
ATOM     13  H   LIG    1        6.658   0.552   0.641  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.146   0.693  -1.379  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1        7.621   0.628  -1.809  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1        8.357   1.944  -1.573  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1        7.858   2.589  -0.409  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1        6.520   3.064  -0.576  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1        5.648   2.137  -1.422  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1       -0.884  -2.320  -0.614  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.966  -1.447   0.034  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.186  -1.898   1.383  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -3.080  -1.559   1.603  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.295  -1.539  -0.745  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.407  -0.896  -0.006  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.697  -1.326  -0.589  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.898  -0.615  -0.003  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.757   0.621   0.649  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.887   1.272   1.160  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.154   0.714   0.998  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.301  -0.498   0.329  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.386   1.214   0.847  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.179  -1.160  -0.172  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.326   0.576  -0.063  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8