REMARK  Name = BDB004968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.671  -0.293  -4.036  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.840   0.137  -2.824  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.033  -0.916  -2.156  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.133  -0.494  -1.380  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.959  -1.409  -0.724  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.697  -2.776  -0.866  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        0.616  -3.214  -1.631  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.213  -2.290  -2.268  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.066  -1.040   0.070  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        3.571  -1.801   0.493  0.00  0.00    +0.156 HD
ATOM     11  C   LIG    1        3.414   0.224   0.488  0.00  0.00    +0.307 C 
ATOM     12  N   LIG    1        4.613   0.280   1.170  0.00  0.00    -0.280 N 
ATOM     13  C   LIG    1        5.636  -0.760   1.284  0.00  0.00    +0.184 C 
ATOM     14  C   LIG    1        6.869  -0.038   1.814  0.00  0.00    +0.266 C 
ATOM     15  F   LIG    1        7.594  -0.811   2.644  0.00  0.00    -0.204 F 
ATOM     16  F   LIG    1        7.673   0.342   0.794  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        6.314   1.179   2.526  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1        5.134   1.552   1.646  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1        2.753   1.242   0.304  0.00  0.00    -0.252 OA
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  20
ATOM     20  N   LIG    1       -1.623   0.905  -1.844  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -0.991   1.321  -1.162  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.682   0.310  -1.134  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -3.391   1.080  -0.184  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -4.429   0.431   0.515  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -5.136   1.181   1.480  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -4.828   2.532   1.729  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -3.818   3.166   1.026  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1       -4.723  -0.861   0.253  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -4.009  -1.485  -0.690  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1       -3.107   2.446   0.076  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -3.013  -0.960  -1.398  0.00  0.00    -0.220 NA
BRANCH  25  32
ATOM     32  C   LIG    1       -6.253   0.615   2.301  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1       -6.864   1.300   3.115  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1       -6.589  -0.695   2.130  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       -6.113  -1.267   1.438  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1       -7.357  -1.079   2.661  0.00  0.00    +0.145 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 5