REMARK  Name = BDB014550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.800  -2.863  -0.231  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        0.697  -1.209  -1.959  0.00  0.00    -0.272 OA
ATOM      3  C   LIG    1        1.206  -1.561  -0.899  0.00  0.00    +0.251 C 
ATOM      4  N   LIG    1        0.530  -2.340   0.024  0.00  0.00    -0.310 N 
ATOM      5  H   LIG    1        1.000  -2.621   0.877  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        2.621  -1.184  -0.451  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.312  -0.492  -1.478  0.00  0.00    -0.481 OA
BRANCH   7   8
ATOM      8  C   LIG    1        4.668  -0.301  -1.321  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1        5.416  -0.438  -0.133  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        6.811  -0.200  -0.223  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.597  -0.330   0.930  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        7.011  -0.673   2.140  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        5.649  -0.878   2.155  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        7.413   0.167  -1.439  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        6.649   0.308  -2.590  0.00  0.00    +0.004 A 
ATOM     16  N   LIG    1        4.861  -0.774   1.062  0.00  0.00    -0.251 NA
ATOM     17  C   LIG    1        5.281   0.078  -2.528  0.00  0.00    +0.048 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1       -1.928  -1.929   0.231  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.134  -2.700   0.363  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -3.861  -2.060   0.213  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.186  -0.758  -0.744  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.457  -0.054  -0.429  0.00  0.00    -0.290 NA
ATOM     23  C   LIG    1       -3.814   0.862  -1.547  0.00  0.00    +0.165 C 
ATOM     24  C   LIG    1       -5.188   1.556  -1.375  0.00  0.00    +0.287 C 
ATOM     25  F   LIG    1       -5.235   2.604  -2.255  0.00  0.00    -0.199 F 
ATOM     26  F   LIG    1       -6.162   0.693  -1.796  0.00  0.00    -0.199 F 
ATOM     27  C   LIG    1       -5.425   2.005   0.050  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -4.571   1.590   1.090  0.00  0.00    -0.025 A 
ATOM     29  C   LIG    1       -4.831   2.020   2.402  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.937   2.824   2.682  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.788   3.221   1.654  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.535   2.814   0.345  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -3.346   0.738   0.813  0.00  0.00    +0.120 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 8