REMARK  Name = BDB034573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.135   1.217  -0.677  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        0.154   0.638  -0.643  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.079   0.783  -1.689  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        0.716   1.523  -2.810  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.550   2.102  -2.885  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.459   1.947  -1.836  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.189   1.018   0.545  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1       -3.035   2.297   0.890  0.00  0.00    +0.049 C 
ATOM      9  C   LIG    1       -2.759   2.071   2.384  0.00  0.00    +0.168 C 
ATOM     10  F   LIG    1       -3.769   1.488   3.068  0.00  0.00    -0.245 F 
ATOM     11  C   LIG    1       -1.576   1.170   1.988  0.00  0.00    +0.049 C 
BRANCH   7  12
ATOM     12  C   LIG    1       -3.024  -0.247   0.224  0.00  0.00    +0.088 C 
BRANCH  12  15
ATOM     13  C   LIG    1       -5.998  -0.104   1.240  0.00  0.00    +0.151 C 
ATOM     14  N   LIG    1       -4.934  -0.900   1.787  0.00  0.00    -0.320 N 
ATOM     15  C   LIG    1       -3.630  -0.977   1.371  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -3.004  -1.856   2.130  0.00  0.00    -0.135 NA
ATOM     17  N   LIG    1       -3.891  -2.333   3.063  0.00  0.00    -0.138 NA
ATOM     18  C   LIG    1       -5.043  -1.745   2.849  0.00  0.00    +0.224 A 
ENDBRANCH  12  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.329   0.160  -1.533  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        2.492  -0.358  -0.671  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        3.397   0.148  -2.410  0.00  0.00    +0.267 C 
ATOM     22  O   LIG    1        3.462   0.685  -3.509  0.00  0.00    -0.268 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.570  -0.631  -1.888  0.00  0.00    +0.126 A 
ATOM     24  N   LIG    1        4.421  -1.182  -0.649  0.00  0.00    -0.238 NA
ATOM     25  C   LIG    1        5.472  -1.895  -0.147  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1        6.658  -2.063  -0.868  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        6.780  -1.489  -2.132  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.720  -0.758  -2.655  0.00  0.00    +0.033 A 
BRANCH  25  29
ATOM     29  C   LIG    1        5.359  -2.533   1.232  0.00  0.00    +0.434 C 
ATOM     30  F   LIG    1        6.366  -2.145   2.069  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1        5.428  -3.895   1.183  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        4.200  -2.239   1.885  0.00  0.00    -0.164 F 
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   3  19
TORSDOF 6