REMARK  Name = BDB034491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.795  -1.253   0.102  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.889  -0.249  -0.963  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1        0.102   0.907  -0.973  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        0.374   1.917  -1.616  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.147   0.932  -0.187  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.209   0.093  -0.538  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.383   0.164   0.214  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -3.523   1.057   1.295  0.00  0.00    +0.090 A 
ATOM      9  N   LIG    1       -4.698   1.148   2.074  0.00  0.00    -0.229 NA
ATOM     10  C   LIG    1       -5.718   0.378   1.805  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1       -5.635  -0.551   0.717  0.00  0.00    +0.106 A 
ATOM     12  C   LIG    1       -6.494  -1.489   0.194  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1       -5.921  -2.130  -0.878  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1       -4.723  -1.596  -0.998  0.00  0.00    +0.204 A 
ATOM     15  C   LIG    1       -2.452   1.898   1.606  0.00  0.00    +0.030 A 
ATOM     16  N   LIG    1       -4.500  -0.639  -0.047  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1       -1.267   1.845   0.866  0.00  0.00    +0.015 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -6.831   0.519   2.584  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -7.716   0.378   2.116  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -6.800   1.377   3.125  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        2.131  -0.189  -1.756  0.00  0.00    +0.147 C 
ATOM     22  C   LIG    1        3.321   0.173  -0.936  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        4.122  -0.947  -0.766  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1        5.268  -0.917   0.001  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1        5.630   0.295   0.611  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1        4.821   1.441   0.420  0.00  0.00    +0.013 A 
ATOM     27  O   LIG    1        3.649  -2.067  -1.401  0.00  0.00    -0.489 OA
ATOM     28  C   LIG    1        3.656   1.381  -0.350  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        2.639  -1.540  -2.301  0.00  0.00    +0.256 C 
BRANCH  25  30
ATOM     30  C   LIG    1        6.892   0.383   1.433  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1        7.203  -0.785   2.063  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.826   1.325   2.415  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.980   0.703   0.680  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4