REMARK  Name = BDB050447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.218  -0.997  -0.704  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        0.162  -0.775  -0.505  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.152  -1.579  -1.073  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        2.423  -1.060  -0.659  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        2.171   0.041   0.145  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        3.748  -1.623  -1.038  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        0.751  -2.660  -1.880  0.00  0.00    +0.168 A 
ATOM      8  F   LIG    1        1.664  -3.462  -2.448  0.00  0.00    -0.202 F 
ATOM      9  C   LIG    1       -0.606  -2.897  -2.091  0.00  0.00    +0.160 A 
ATOM     10  F   LIG    1       -0.991  -3.924  -2.862  0.00  0.00    -0.202 F 
ATOM     11  N   LIG    1        0.809   0.195   0.229  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1        0.335   0.916   0.758  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1       -1.576  -2.084  -1.519  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.707  -0.333   1.209  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -2.216  -0.115  -0.091  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -2.711   1.010  -0.785  0.00  0.00    -0.038 A 
ATOM     17  C   LIG    1       -2.258   1.346  -2.181  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -3.652   1.837  -0.158  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -4.075   1.545   1.129  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1       -3.617   0.485   1.804  0.00  0.00    -0.237 NA
BRANCH  19  21
ATOM     21  N   LIG    1       -5.016   2.361   1.763  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -4.667   3.312   1.817  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1       -5.878   2.367   1.227  0.00  0.00    +0.144 HD
ENDBRANCH  19  21
BRANCH  14  25
ATOM     24  C   LIG    1       -3.235  -2.691   1.884  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -2.288  -1.513   2.054  0.00  0.00    +0.053 C 
ENDBRANCH  14  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        3.096   0.977   0.855  0.00  0.00    +0.081 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.601   2.090  -0.067  0.00  0.00    +0.165 C 
BRANCH  27  28
ATOM     28  O   LIG    1        4.342   3.077   0.653  0.00  0.00    -0.383 OA
ATOM     29  C   LIG    1        5.682   2.683   0.919  0.00  0.00    +0.194 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6