REMARK  Name = BDB019581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.922   2.450   0.424  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.427   2.071   0.469  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.859   0.882  -0.132  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.054   0.072  -0.817  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.405   0.441  -0.893  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        1.827   1.622  -0.261  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        2.537   2.454   2.955  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1        2.139   3.718   2.245  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        1.373   3.692   1.065  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.034   4.929   0.495  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.459   6.114   1.087  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        2.216   6.030   2.238  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1        2.635   7.167   2.811  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1        2.566   4.870   2.826  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -2.303   0.535  -0.046  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1       -2.597  -0.807   0.032  0.00  0.00    -0.308 N 
ATOM     17  H   LIG    1       -1.855  -1.488   0.098  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -3.139   1.429  -0.022  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -3.959  -1.294   0.079  0.00  0.00    +0.079 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.361  -1.717  -1.310  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -5.811  -1.702  -1.725  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -4.856  -0.698  -2.307  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  23
ATOM     23  C   LIG    1       -4.012  -2.457   1.035  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -4.010  -2.216   2.525  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -5.254  -2.722   1.850  0.00  0.00    +0.006 C 
ENDBRANCH  19  23
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  26
ATOM     26  C   LIG    1        2.404  -0.435  -1.611  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.116  -1.240  -0.641  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        2.507  -1.603   0.086  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        3.981  -2.204  -1.018  0.00  0.00    +0.176 C 
ATOM     30  N   LIG    1        4.834  -1.929  -2.037  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1        5.218  -0.993  -1.993  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        5.824  -2.988  -2.048  0.00  0.00    +0.127 C 
ATOM     33  C   LIG    1        5.137  -4.061  -1.198  0.00  0.00    +0.163 C 
ATOM     34  N   LIG    1        4.059  -3.366  -0.440  0.00  0.00    -0.255 NA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8