REMARK  Name = BDB019101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.525  -2.336  -0.197  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1        2.127  -1.033   0.012  0.00  0.00    +0.096 A 
ATOM      3  N   LIG    1        0.758  -1.100   0.167  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.044   0.035   0.380  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.507   1.215   0.478  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        1.880   1.292   0.343  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.408  -2.424   0.092  0.00  0.00    +0.208 A 
ATOM      8  C   LIG    1        2.718   0.256   0.115  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        1.446  -3.193  -0.161  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.159   0.541  -0.015  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        5.035   0.618   1.079  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1        6.366   0.894   0.928  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1        6.837   1.071  -0.325  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        6.046   1.005  -1.456  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.690   0.740  -1.296  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1        4.544   0.401   2.494  0.00  0.00    +0.390 C 
ATOM     17  F   LIG    1        3.881  -0.781   2.661  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1        3.681   1.373   2.912  0.00  0.00    -0.202 F 
ENDBRANCH  11  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  N   LIG    1        4.934  -3.191  -0.635  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1        3.850  -2.826  -0.431  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   4  21
ATOM     21  N   LIG    1       -1.409  -0.087   0.506  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -1.751   0.771   0.935  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.203  -0.336  -0.694  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.637  -0.541  -0.311  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.520   0.515  -0.100  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.297   1.980  -0.153  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.750   2.456  -0.112  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.567   1.421   0.480  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.831   0.280   0.296  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.323  -0.993   0.505  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.459  -2.066   0.295  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.136  -1.835  -0.105  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -3.329  -2.890  -0.289  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 6