REMARK  Name = BDB019756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.236   0.007   0.272  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.071   0.583   1.534  0.00  0.00    +0.138 A 
ATOM      3  F   LIG    1       -0.130   1.015   1.948  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.148   0.729   2.404  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        3.408   0.296   2.011  0.00  0.00    +0.131 A 
ATOM      6  F   LIG    1        4.431   0.440   2.864  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1        3.619  -0.279   0.757  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.519  -0.420  -0.110  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1       -1.133   0.254  -0.310  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1       -1.257   0.703   0.591  0.00  0.00    +0.150 HD
ATOM     11  C   LIG    1        0.114  -0.182  -0.691  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        0.328  -0.716  -1.775  0.00  0.00    -0.270 OA
BRANCH   9  13
ATOM     13  C   LIG    1       -2.294   0.147  -1.178  0.00  0.00    +0.101 C 
ATOM     14  C   LIG    1       -2.278   1.230  -2.262  0.00  0.00    +0.033 C 
BRANCH  13  17
ATOM     15  C   LIG    1       -5.154   1.367   1.076  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1       -3.996   1.356   0.292  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -3.559   0.183  -0.342  0.00  0.00    -0.021 A 
ATOM     18  C   LIG    1       -4.306  -0.988  -0.154  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -5.466  -0.991   0.626  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1       -5.890   0.190   1.240  0.00  0.00    +0.091 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -6.629   2.670   2.417  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.451   2.585   1.626  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
BRANCH  19  23
ATOM     23  O   LIG    1       -6.087  -2.208   0.709  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1       -7.280  -2.278   1.479  0.00  0.00    +0.277 C 
ENDBRANCH  19  23
ENDBRANCH  13  17
ENDBRANCH   9  13
ENDBRANCH   1  11
BRANCH   7  25
ATOM     25  C   LIG    1        4.989  -0.748   0.342  0.00  0.00    +0.142 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.439   0.018  -0.806  0.00  0.00    -0.313 N 
ATOM     27  H   LIG    1        5.419   1.018  -0.624  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        6.585  -0.283  -1.452  0.00  0.00    +0.176 C 
ATOM     29  N   LIG    1        6.828  -1.587  -1.738  0.00  0.00    -0.316 N 
ATOM     30  H   LIG    1        6.002  -2.085  -2.048  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        7.934  -1.610  -2.674  0.00  0.00    +0.127 C 
ATOM     32  C   LIG    1        8.510  -0.201  -2.502  0.00  0.00    +0.163 C 
ATOM     33  N   LIG    1        7.444   0.609  -1.850  0.00  0.00    -0.255 NA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 8