REMARK  Name = BDB061205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.740   0.386  -0.176  0.00  0.00    +0.016 A 
ATOM      2  C   LIG    1       -2.193  -0.144   0.998  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -0.808  -0.094   1.185  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.247  -0.714   2.385  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1       -0.955  -1.262   3.323  0.00  0.00    -0.179 NA
ATOM      6  N   LIG    1       -2.302  -1.254   3.163  0.00  0.00    -0.243 N 
ATOM      7  H   LIG    1       -2.849  -1.665   3.914  0.00  0.00    +0.192 HD
ATOM      8  C   LIG    1        0.018   0.509   0.232  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -0.506   1.018  -0.899  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -2.999  -0.741   2.092  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -4.223  -0.781   2.084  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -1.847   0.950  -1.079  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1       -7.280  -1.120  -1.442  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -6.129  -0.308  -1.135  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1       -6.234   1.034  -1.171  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -5.028   1.453  -0.782  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1       -4.140   0.383  -0.533  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -4.875  -0.747  -0.819  0.00  0.00    +0.116 A 
ENDBRANCH   1  17
BRANCH   8  19
ATOM     19  N   LIG    1        1.409   0.571   0.417  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.618   1.042   1.295  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.147   1.209  -0.673  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.618   1.134  -0.369  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.342  -0.048  -0.490  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.914  -1.385  -0.966  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        5.132  -2.203  -0.532  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.270  -1.320  -0.398  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.702  -0.087  -0.210  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.402   1.029   0.201  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        5.694   2.221   0.348  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.320   2.264   0.068  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        3.673   3.427   0.229  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 4