REMARK  Name = BDB056907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.800  -2.034   0.442  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.433  -0.793   0.735  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1       -3.791  -0.802   1.073  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -4.539   0.389   1.500  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1       -4.477   1.632   0.731  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.289   2.219   0.320  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -1.945   1.707   0.639  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1       -1.009   2.505   0.714  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -3.346   3.432  -0.396  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.568   4.037  -0.699  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.752   3.446  -0.275  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.707   2.253   0.443  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1       -5.324   0.307   2.441  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1       -4.521  -2.005   1.105  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.917  -3.222   0.800  0.00  0.00    -0.049 A 
ATOM     16  C   LIG    1       -4.711  -4.494   0.796  0.00  0.00    +0.044 C 
ATOM     17  N   LIG    1       -1.654   0.377   0.741  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -0.645   0.248   0.738  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1       -2.565  -3.222   0.458  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  22
ATOM     20  C   LIG    1        1.691  -1.617  -0.091  0.00  0.00    +0.242 A 
ATOM     21  O   LIG    1        0.463  -1.144   0.341  0.00  0.00    -0.416 OA
ATOM     22  C   LIG    1       -0.385  -2.186   0.086  0.00  0.00    +0.251 A 
ATOM     23  N   LIG    1        0.242  -3.217  -0.436  0.00  0.00    -0.107 NA
ATOM     24  N   LIG    1        1.564  -2.852  -0.555  0.00  0.00    -0.108 NA
BRANCH  20  26
ATOM     25  C   LIG    1        4.044  -1.273  -0.479  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1        2.868  -0.828  -0.010  0.00  0.00    +0.070 C 
BRANCH  25  28
ATOM     27  C   LIG    1        5.404   0.852  -0.836  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1        5.291  -0.491  -0.406  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.426  -1.153   0.086  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        7.640  -0.484   0.172  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        8.714  -1.125   0.652  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        7.756   0.838  -0.231  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        6.640   1.507  -0.738  0.00  0.00    +0.049 A 
BRANCH  27  35
ATOM     34  C   LIG    1        4.347   2.782  -1.777  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        4.269   1.429  -1.346  0.00  0.00    -0.495 OA
ENDBRANCH  27  35
ENDBRANCH  25  28
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 4